Name: 37472-52-9|3-(tert-Butoxy)-2-methyl-3-oxopropanoic acid|95%
Brand: Ambeed
SKU: A858621
Price: 40.0 USD
Availability: InStock
Rating: 92 (30 reviews)

1
[ 37472-51-8 ]
[ 37472-52-9 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium periodate

Reference： [1]Rueppel,M.L.; Rapoport,H. [Journal of the American Chemical Society, 1972, vol. 94, p. 3877 - 3883]

2
[ 37472-52-9 ]
[ 213024-76-1 ]
2-methyl-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-malonamic acid tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;	1.a To a cooled solution (0° C.) of 2-methyl-malonic acid mono-tert-butyl ester (1.01 g, 5.79 mmol) and 7-amino-5-methyl-5H,7H-dibenzo[b,d]azepin-6-one (1.15 g, 4.83 mmol) in THF (8 ml) was added hydroxybenzotriazole (652 mg, 4.83 mmol), diisopropylethylamine (624 mg, 4.83 mmol) and N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (925 mg, 4.83 mmol), and the mixture was stirred overnight at r.t. The solvent was evaporated, the residue was taken up in ethyl acetate, washed with water, and dried (Na2SO4). After evaporation of the solvent, the title compound, MS: m/e=395.3 (M+H+), (920 mg, 48%) was obtained by chromatographic purification of the residue (silica gel, MeOH, CH2Cl2).
48%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;	151.a Example 151 N- (2-Fluoro-benzyl) -2-methyl-N'- (5-methyl-6-oxo-6,7-dihydro-5H- dibenzo [b, d] azepin-7-yl)-malonamide A) 2-Methyl-N- (5-methyl-6-oxo-6, 7-DIHYDRO-5H-DIBENZO [B, DLAZEPIN-7-YL)-MALONAMIC acid tert-butyl ester To a cooled solution (0 C) OF 2-METHYL-MALONIC acid mono-tert-butyl ester (1.01 g, 5.79 mmol) and 7-amino-5-methyl-5H, 7H-dibenzo [b, d] azepin-6-one (1.15 g, 4.83 mmol) in THF (8 ml) was added hydroxybenzotriazole (652 mg, 4.83 mmol), diisopropylethylamine (624 mg, 4.83 mmol) and N- (3-DIMETHYLAMINOPROPYL)-N - ethylcarbodiimide hydrochloride (925 mg, 4.83 mmol), and the mixture was stirred overnight at r. t. The solvent was evaporated, the residue was taken up in ethyl acetate, washed with water, and dried (NAZSO4). After evaporation of the solvent, the title compound, MS: m/e = 395.3 (M+H+), (920mg, 48 %) was obtained by chromatographic purification of the residue (silica gel, MEOH, CH2C12).
48%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;	166.a Example 166 2-METHYL-N- (5-METHYL-6-OXO-6, 7-DIHYDRO-5H-DIBENZO [b, d] azepin-7-yl)-N'-phenyl- malonamide A) 2-METHYL-N-(5-METHYL-6-OXO-6. 7-DIHYDRO-5H-DIBENZO [B. DL AZEPIN-7-VL)-MALONAMIC acid tert-butyl ester To a cooled solution (0 C) of 2-methyl-malonic acid mono-tert-butyl ester (L. Olg, 5.79 mmol) and 7-amino-5-methyl-5H, 7H-dibenzo [b, d] azepin-6-one (1.15 g, 4.83 mmol) in THF (8 ml) was added hydroxybenzotriazole (652mg, 4.83mmol), diisopropylethylamine (624 mg, 4.83 mmol) and N- (3-DIMETHYLAMINOPROPYL)-N -ETHYLCARBODIIMIDE hydrochloride (925 mg, 4.83 mmol), and the mixture was stirred overnight at r. t. The solvent was evaporated, the residue was taken up in ethyl acetate, washed with water, and dried (Na2SO4). After evaporation of the solvent, the title compound, MS: m/e = 395.3 (M+H+), (920 mg, 48 %) was obtained by chromatographic purification of the residue (silica gel, MEOH, CH2C12).

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - US2005/54633, 2005, A1 Location in patent: Page/Page column 9
[2]Current Patent Assignee: ROCHE HOLDING AG - WO2004/69826, 2004, A1 Location in patent: Page 61
[3]Current Patent Assignee: ROCHE HOLDING AG - WO2004/69826, 2004, A1 Location in patent: Page 67

3
[ 37472-52-9 ]
[ 79889-39-7 ]
[ 87545-76-4 ]
[ 87545-75-3 ]

Yield	Reaction Conditions	Operation in experiment
		9 EXAMPLE 9 STR13 EXAMPLE 9 STR13 By following the same procedure as in Example 2 using 7.3 g of 2-(m-hydroxyphenyl)imidazo[2,1-b]benzothiazole and methylmalonic acid mono-tert-butyl ester, 7.26 g of 2-[m-(2-carboxypropionyloxy)phenyl]imidazo[2,1-b]benzothiazole.hydrochloride was obtained through 2-[m-(2-tert-butoxycarbonylpropionyloxy)phenyl]imidazo[2,1-b]benzothiazole (yield 10.1 g). Melting point: 143°-146° C. (decomd.). Elemental analysis for C19 H15 N2 O4 ClS:

Reference： [1]Current Patent Assignee: ASTELLAS PHARMA INC. - US4464384, 1984, A

4
[ 365242-16-6 ]
[ 37472-52-9 ]
[ 955879-97-7 ]

Yield	Reaction Conditions	Operation in experiment
48%	With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;

Reference： [1]Peters, Jens-Uwe; Galley, Guido; Jacobsen, Helmut; Czech, Christian; David-Pierson, Pascale; Kitas, Eric A.; Ozmen, Laurence [Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 21, p. 5918 - 5923]

5
[ 37472-52-9 ]
[ 1277102-61-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

6
[ 37472-52-9 ]
n-hexyl(methyl)malonic acid diphenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / toluene / 30 h / -20 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

7
[ 37472-52-9 ]
methyl(2-methylallyl)malonic acid diphenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

8
[ 37472-52-9 ]
methyl(4-methylbenzyl)malonic acid diphenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

9
[ 37472-52-9 ]
(4-fluorobenzyl)(methyl)malonic acid diphenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 14 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

10
[ 37472-52-9 ]
methyl(naphthalen-2-ylmethyl)malonic acid diphenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

11
[ 37472-52-9 ]
[ 1277102-71-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C 3: potassium hydroxide / methanol / 12 h / 20 °C
	Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C 3: palladium on activated charcoal; hydrogen / methanol / 3 h

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]
[2]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

12
[ 37472-52-9 ]
C₁₈H₂₄O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C 3: palladium on activated charcoal; hydrogen / methanol / 3 h 4: triethylamine / dichloromethane / 0 - 30 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

13
[ 37472-52-9 ]
[ 1277102-51-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C 3: palladium on activated charcoal; hydrogen / methanol / 3 h 4: triethylamine / dichloromethane / 0 - 30 °C 5: ammonium hydroxide / methanol; water / 5 h / 30 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

14
[ 37472-52-9 ]
C₁₅H₁₉NO₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C 3: palladium on activated charcoal; hydrogen / methanol / 3 h 4: triethylamine / dichloromethane / 0 - 30 °C 5: ammonium hydroxide / methanol; water / 5 h / 30 °C 6: N-Bromosuccinimide; mercury(II) acetate / N,N-dimethyl-formamide / 2 h / 70 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

15
[ 37472-52-9 ]
C₁₆H₂₃NO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 7 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C 3: palladium on activated charcoal; hydrogen / methanol / 3 h 4: triethylamine / dichloromethane / 0 - 30 °C 5: ammonium hydroxide / methanol; water / 5 h / 30 °C 6: N-Bromosuccinimide; mercury(II) acetate / N,N-dimethyl-formamide / 2 h / 70 °C 7: N,N-dimethyl-formamide / 2 h / 70 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

16
[ 37472-52-9 ]
[ 1940-57-4 ]
[ 1277102-47-2 ]

Yield	Reaction Conditions	Operation in experiment
57%	With triethylamine In acetonitrile for 2h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

17
[ 37472-52-9 ]
[ 19853-09-9 ]
[ 1277102-42-7 ]

Yield	Reaction Conditions	Operation in experiment
23%	With triethylamine In acetonitrile for 1h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

18
[ 37472-52-9 ]
[ 100-39-0 ]
benzyl(methyl)malonic acid benzyl tert-butyl ester [ No CAS ]
benzyl(methyl)malonic acid benzyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 14 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 16 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

19
[ 37472-52-9 ]
[ 100-39-0 ]
[ 324740-14-9 ]

Yield	Reaction Conditions	Operation in experiment
70%	With triethylamine In acetonitrile for 14h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

20
[ 37472-52-9 ]
[ 2550-36-9 ]
[ 1277102-44-9 ]

Yield	Reaction Conditions	Operation in experiment
20%	With triethylamine In acetonitrile for 21h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

21
[ 37472-52-9 ]
[ 776-74-9 ]
[ 1277102-46-1 ]

Yield	Reaction Conditions	Operation in experiment
84%	With triethylamine In acetonitrile for 2h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

22
[ 3709-18-0 ]
[ 75-65-0 ]
[ 37472-52-9 ]

Yield	Reaction Conditions	Operation in experiment
99%	for 12h; Reflux;
35%	at 95 - 100℃; for 6h;
	Reflux;

With pyridine at 80℃; for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]
[2]Li, Yuan; Zhang, Wan; Zhang, Hui; Tian, Wenya; Wu, Lian; Wang, Shuwen; Zheng, Mengmeng; Zhang, Jinru; Sun, Chenghai; Deng, Zixin; Sun, Yuhui; Qu, Xudong; Zhou, Jiahai [Angewandte Chemie - International Edition, 2018, vol. 57, # 20, p. 5823 - 5827][Angew. Chem., 2018, vol. 130, p. 5925 - 5929,5]
[3]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]
[4]Hughes, Amanda Jane; Tibby, Matthew R.; Wagner, Drew T.; Brantley, Johnathan N.; Keatinge-Clay, Adrian T. [Chemical Communications, 2014, vol. 50, # 40, p. 5276 - 5278]

23
[ 37472-52-9 ]
[ 1440524-50-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 83 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

24
[ 37472-52-9 ]
[ 1440524-51-5 ]
(R)-1-([1,1'-biphenyl]-4-ylmethyl) 3-tert-butyl 2-benzyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 60 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

25
[ 37472-52-9 ]
[ 1440524-52-6 ]
(R)-1-tert-butyl 3-(naphthalen-2-ylmethyl) 2-benzyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 44 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

26
[ 37472-52-9 ]
[ 1440524-53-7 ]
(R)-1-tert-butyl 3-(naphthalen-1-ylmethyl) 2-benzyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 18 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

27
[ 37472-52-9 ]
[ 1440524-54-8 ]
[ 1440524-55-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 72 h / -40 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

28
[ 37472-52-9 ]
[ 1440524-56-0 ]
[ 1440524-57-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 21 h / -20 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

29
[ 37472-52-9 ]
[ 1440524-58-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 168 h / -40 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

30
[ 37472-52-9 ]
[ 1440524-58-2 ]
[ 1440524-60-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 168 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

31
[ 37472-52-9 ]
(S)-1-tert-butyl 3-((R)-1-phenylethyl) 2-cinnamyl-2-methylmalonate [ No CAS ]
(R)-1-tert-butyl 3-((R)-1-phenylethyl) 2-cinnamyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 72 h / -40 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

32
[ 37472-52-9 ]
[ 1440524-63-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 168 h / -40 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

33
[ 37472-52-9 ]
[ 1440524-67-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 168 h / -40 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

34
[ 37472-52-9 ]
[ 1440524-69-5 ]
[ 1440524-83-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 91 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

35
[ 37472-52-9 ]
[ 1440524-71-9 ]
(R)-1-tert-butyl 3-(2-methoxybenzyl) 2-benzyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 72 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

36
[ 37472-52-9 ]
[ 1440524-73-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 96 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

37
[ 37472-52-9 ]
1-tert-butyl 3-(2,6-difluorobenzyl) 2-benzyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 72 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

38
[ 37472-52-9 ]
[ 1440524-79-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 21 h / -20 °C 3: potassium hydroxide; water / methanol / 24 h / 20 °C
	Multi-step reaction with 3 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C 3: potassium hydroxide / methanol / 12 h / 20 °C
	Multi-step reaction with 3 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 9 h / -40 °C 3: potassium hydroxide / methanol / 12 h / 20 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]
[2]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]
[3]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

39
[ 37472-52-9 ]
[ 1440524-81-1 ]
[ 1440524-82-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 15 h / Inert atmosphere 2.1: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 21 h / -20 °C 3.1: potassium hydroxide; water / methanol / 24 h / 20 °C 4.1: sodium hydrogencarbonate / water / 0.17 h / 20 °C 4.2: 6 h / 0 °C / Darkness

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

40
[ 37472-52-9 ]
benzyl(methyl)malonic acid benzyl tert-butyl ester [ No CAS ]
C₂₂H₂₆O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 16 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

41
[ 37472-52-9 ]
C₂₈H₃₀O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 15 h / Reflux 2: potassium hydroxide; (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide / toluene; water / 13 h / 0 °C

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

42
[ 37472-52-9 ]
[ 4780-79-4 ]
[ 1440524-43-5 ]

Yield	Reaction Conditions	Operation in experiment
44%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 15h; Inert atmosphere;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

43
[ 37472-52-9 ]
[ 14704-31-5 ]
[ 1440524-38-8 ]

Reference： [1]Organic and Biomolecular Chemistry,2013,vol. 11,p. 4030 - 4039

44
[ 37472-52-9 ]
[ 1517-69-7 ]
[ 1440524-44-6 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 15h; Inert atmosphere;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

45
[ 37472-52-9 ]
[ 1445-91-6 ]
[ 1440524-45-7 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 15h; Inert atmosphere;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

46
[ 37472-52-9 ]
[ 1440524-48-0 ]

Yield	Reaction Conditions	Operation in experiment
99%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

47
[ 37472-52-9 ]
[ 1440524-47-9 ]

Yield	Reaction Conditions	Operation in experiment
58%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

48
[ 37472-52-9 ]
[ 1440524-49-1 ]

Yield	Reaction Conditions	Operation in experiment
96%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

49
[ 37472-52-9 ]
[ 1440524-46-8 ]

Yield	Reaction Conditions	Operation in experiment
88%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

50
[ 37472-52-9 ]
[ 1277102-42-7 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

51
[ 37472-52-9 ]
[ 1440524-40-2 ]

Yield	Reaction Conditions	Operation in experiment
83%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

52
[ 37472-52-9 ]
[ 324740-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

53
[ 37472-52-9 ]
[ 1440524-42-4 ]

Yield	Reaction Conditions	Operation in experiment
78%	With triethylamine In dichloromethane for 15h; Reflux;

Reference： [1]Ha, Min Woo; Hong, Suckchang; Park, Cheonhyoung; Park, Yohan; Lee, Jihye; Kim, Mi-Hyun; Lee, Jihoon; Park, Hyeung-Geun [Organic and Biomolecular Chemistry, 2013, vol. 11, # 24, p. 4030 - 4039]

54
[ 37472-52-9 ]
C₁₁H₁₉NO₅S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 23℃; for 48h;

Reference： [1]Hughes, Amanda Jane; Tibby, Matthew R.; Wagner, Drew T.; Brantley, Johnathan N.; Keatinge-Clay, Adrian T. [Chemical Communications, 2014, vol. 50, # 40, p. 5276 - 5278]

55
[ 37472-52-9 ]
[ 574-66-3 ]
tert-butyl 3-[(diphenylmethylene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

56
[ 37472-52-9 ]
[ 574-66-3 ]
tert-butyl 2-[((diphenylmethylene)amino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

57
[ 37472-52-9 ]
[ 10341-75-0 ]
tert-butyl (E)-2-methyl-3-oxo-3-[(1-phenylethylidene)amino]oxy}propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

58
[ 37472-52-9 ]
[ 10341-75-0 ]
tert-butyl (E)-2-methyl-2-[((1-phenylethylidene)amino)oxy]carbonyl}pent-4-enoate [ No CAS ]
tert-butyl (E)-2-methyl-2-[((1-phenylethylidene)amino)oxy]carbonyl}pent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

59
syn-benzaldehyde oxime [ No CAS ]
[ 37472-52-9 ]
tert-butyl (E)-3-[(benzylideneamino)oxy]-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

60
syn-benzaldehyde oxime [ No CAS ]
[ 37472-52-9 ]
tert-butyl (E)-2-[(benzylideneamino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

61
[ 37472-52-9 ]
(E)-4-methoxybenzaldoxime [ No CAS ]
tert-butyl (E)-3-[(4-methoxybenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

62
[ 37472-52-9 ]
(E)-4-methoxybenzaldoxime [ No CAS ]
tert-butyl (E)-2-[(benzylideneamino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 7 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

63
[ 37472-52-9 ]
[ 459-23-4 ]
tert-butyl (E)-3-[(4-fluorobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

64
[ 37472-52-9 ]
[ 459-23-4 ]
tert-butyl (E)-2-[((4-fluorobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

65
[ 37472-52-9 ]
[ 3717-24-6 ]
tert-butyl (E)-3-[(4-chlorobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
69%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

66
[ 37472-52-9 ]
[ 3717-24-6 ]
tert-butyl (E)-2-[((4-chlorobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 6 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

67
[ 37472-52-9 ]
4-bromobenzaldehyde Oxime [ No CAS ]
tert-butyl (E)-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

68
[ 37472-52-9 ]
[ 34158-75-3 ]
tert-butyl (E)-3-[(4-iodobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
69%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

69
[ 37472-52-9 ]
[ 34158-75-3 ]
tert-butyl (E)-2-[((4-iodobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

70
[ 37472-52-9 ]
[ 51873-98-4 ]
tert-butyl (E)-2-methyl-3-[(naphthalen-2-ylmethylene)amino]oxy}-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

71
[ 37472-52-9 ]
[ 51873-98-4 ]
tert-butyl (E)-2-methyl-2-[((naphthalen-2-ylmethylene)amino)oxy]carbonyl}pent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 7 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

72
[ 37472-52-9 ]
α-naphthalenecarboaldoxime [ No CAS ]
tert-butyl (E)-2-methyl-3-[(naphthalen-1-ylmethylene)amino]oxy}-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 24h;

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

73
[ 37472-52-9 ]
α-naphthalenecarboaldoxime [ No CAS ]
tert-butyl (E)-2-methyl-2-[((naphthalen-1-ylmethylene)amino)oxy]carbonyl}pent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 2 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

74
[ 37472-52-9 ]
1-allyl 3-(tert-butyl) (S)-2-allyl-2-methylmalonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C 3: potassium hydroxide / methanol / 12 h / 20 °C 4: triethylamine / acetonitrile / 8 h / Heating
	Multi-step reaction with 4 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 9 h / -40 °C 3: potassium hydroxide / methanol / 12 h / 20 °C 4: triethylamine / acetonitrile / 8 h / Heating

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]
[2]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

75
[ 37472-52-9 ]
tert-butyl (R,E)-2-[((4-bromobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 5 h / 0 °C
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 9 h / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]
[2]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

76
[ 37472-52-9 ]
tert-butyl (R,E)-2-[((4-bromobenzylidene)amino)oxy]carbonyl}-2,4-dimethylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

77
[ 37472-52-9 ]
tert-butyl (R,E)-2-[((4-bromobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-ynoate [ No CAS ]
tert-butyl (S,E)-2-[((4-bromobenzylidene)amino)oxy]carbonyl}-2-methylpent-4-ynoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

78
[ 37472-52-9 ]
tert-butyl (R,E)-2-[(((E)-4-bromobenzylidene)amino)oxy]carbonyl}-2-methyl-5-phenylpent-4-enoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

79
[ 37472-52-9 ]
tert-butyl (R,E)-2-benzyl-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

80
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-2-(4-methylbenzyl)-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

81
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-(3-methoxybenzyl)-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

82
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-(4-fluorobenzyl)-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

83
[ 37472-52-9 ]
tert-butyl (R,E)-2-(4-bromobenzyl)-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

84
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-(4-iodobenzyl)-2-methyl-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

85
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-2-(2-nitrobenzyl)-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

86
[ 37472-52-9 ]
tert-butyl (R,E)-3-[(4-bromobenzylidene)amino]oxy}-2-methyl-2-(naphthalen-2-ylmethyl)-3-oxopropanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / -40 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

87
[ 37472-52-9 ]
C₂₁H₃₀BrNO₄ [ No CAS ]
C₂₁H₃₀BrNO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / 1,4-dioxane / 24 h 2: (SS)-3,4,5-trifluorophenyl-NAS bromide; potassium hydroxide / water; toluene / 24 h / 0 °C

Reference： [1]Park, Cheonhyoung; Ha, Min Woo; Kim, Byungsoo; Hong, Suckchang; Kim, Doyoung; Park, Yohan; Kim, Mi-Hyun; Lee, Jae Kyun; Lee, Jeeyeon; Park, Hyeung-Geun [Advanced Synthesis and Catalysis, 2015, vol. 357, # 13, p. 2841 - 2848]

88
[ 37472-52-9 ]
[ 1277102-59-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 21 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 60 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

89
[ 37472-52-9 ]
[ 1940-57-4 ]
benzyl(methyl)malonic acid 9-fluorenyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 2 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 16 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

90
[ 37472-52-9 ]
[ 19853-09-9 ]
benzyl(methyl)malonic acid biphenyl-2-ylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 1 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 13 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

91
[ 37472-52-9 ]
[ 24463-19-2 ]
[ 1277102-45-0 ]

Yield	Reaction Conditions	Operation in experiment
61%	With triethylamine In acetonitrile for 22h; Reflux;

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

92
[ 37472-52-9 ]
[ 24463-19-2 ]
benzyl(methyl)malonic acid 9-anthracenylmethyl tert-butyl ester [ No CAS ]
benzyl(methyl)malonic acid 9-anthracenylmethyl tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 22 h / Reflux 2: (11bS,11b’S)-2,6-bis(3,4,5-trifluorophenyl)-3,3’,5,5’-tetrahydro-4,4’-spirobi[dinaphtho[2,1-c:1’,2’-e]azepin]-4-ium bromide; potassium hydroxide / water; toluene / 19 h / 0 °C

Reference： [1]Hong, Suckchang; Lee, Jihye; Kim, Minsik; Park, Yohan; Park, Cheonhyoung; Kim, Mi-Hyun; Jew, Sang-Sup; Park, Hyeung-Geun [Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4924 - 4929]

93
[ 1190-73-4 ]
[ 37472-52-9 ]
C₁₂H₂₁NO₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
35%	Stage #1: α-methylmalonate mono-tert-butyl ester With 1,1'-carbonyldiimidazole In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; Stage #2: 2-(acetylamino)ethanethiol With dmap In tetrahydrofuran at 20℃; for 18h; Inert atmosphere;

Reference： [1]Li, Yuan; Zhang, Wan; Zhang, Hui; Tian, Wenya; Wu, Lian; Wang, Shuwen; Zheng, Mengmeng; Zhang, Jinru; Sun, Chenghai; Deng, Zixin; Sun, Yuhui; Qu, Xudong; Zhou, Jiahai [Angewandte Chemie - International Edition, 2018, vol. 57, # 20, p. 5823 - 5827][Angew. Chem., 2018, vol. 130, p. 5925 - 5929,5]

94
[ 167308-64-7 ]
[ 37472-52-9 ]
tert-butyl 2-methyl-3-oxo-3-[(2-[3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)formamido]propanamido]ethyl)sulfanyl]propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 25℃; for 1h;	166.2 Step 2: Synthesis of tert- butyl 2-methyl-3-oxo-3-[(2-[3-[(2,2,5,5-tetramethyl-l,3-dioxan-4- yl)formamid o] propanamido] ethyl)sulfanyll propanoate To a stirred solution of 3-(tert-butoxy)-2-methyl-3-oxopropanoic acid from Example 166 Step 1 (18 mg, 0.10 mmol, 1.20 equiv) and N-(2-sulfanylethyl)-3-[(2,2,5,5-tetramethyl-l,3-dioxan-4- yl)formamido]propanamide from Preparative Example 3 Step 2 (28 mg, 0.08 mmol, 1.00 equiv) m DCM (20 ml) were added EDCI (16 mg, 0.13 mmol, 0.10 equiv) and DIEA (272 mg, 1.32 mmol, 1.00 equiv) at 0 degrees C. The resulted mixture was stirred at 25 degrees C for 1 h. The reaction was quenched with ECO (10 mi). The resulting mixture was extracted with CH2CI2 (3 x 20 mL). The combined organic layers were washed with brine (30 ml), dried over anhydrous Na2SC>4 After filtration, the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography, eluted with PE/EtOAc (1 : 1) to afford tert-butyl 2- methyl-3-oxo-3-[(2-[3-[(2,2,5,5-tetramethyl-l,3-dioxan-4- yl)formamido]propanamido]ethyl)sulfanyl]propanoate (350 mg, 56%) as a yellow oil. MS: (ES, m/z)*. 475 (M l . ..

Reference： [1]Current Patent Assignee: COMET THERAPEUTICS - WO2020/113209, 2020, A1 Location in patent: Paragraph 2121

95
[ 516-05-2 ]
[ 75-65-0 ]
[ 37472-52-9 ]

Yield	Reaction Conditions	Operation in experiment
37%	With dmap; dicyclohexyl-carbodiimide In acetonitrile at -15 - 25℃; for 14h;	General procedure 5 (GP5) - monoesterification: General procedure: A 50 mL RBF equipped with a stirring bar was charged with the methyl malonic acid(9a, 0.50 g, 4.2 mmol, 1.0 equiv), DMAP (26 mg, 0.21 mmol, 5 mol %), CH3CN (10 mL), and the requisite alcohol 8 (1.1 equiv) and cooled at -15 °C (ice/salt bath). A solution of DCC (0.87 g, 4.2 mmol, 1.0 equiv) in CH3CN (10 mL) was added dropwise to the stirred mixture with a pressure-equalizing dropping funnel. The reaction was allowed to warm to rt and stirred for 14 h. Then, the reaction mixture was filtered through a fritted funnel (rinsed with CH2Cl2), and the filtrate was evaporated. To the resulting crude oil were added 30 mL of sat aq NaHCO3. The resulting solution was washed with Et2O (2 × 10 mL), acidified to pH 1 with 1 M aq HCl, and extracted with CH2Cl2 (2 × 20 mL). The combined organic layers were dried (Na2SO4) and evaporated to afford the expected product 4.
36%	With pyridine; methanesulfonyl chloride In tetrahydrofuran at 0 - 25℃; for 3h;	166.1 Step 1: Synthesis of 3-(tert-butoxy)-2-methyl-3-oxopropanoic add To a stirred solution of methylmalonic acid (1 g, 8.46 mmol, 1.00 equiv) in THF (10 ml) was added tert-butanol (1.13 g, 15.3 mmol, 1.8 equiv) and pyndme (1.5 mL) was added at 0 degrees C. MsCl (1.00 g, 0.009 mmol) was added dropwise 0 degrees C.The reaction was stirred at 25 degrees C for 3 h. The solid was filtered out. The filtrate was concentrated and 30 ml of EbQ was added. The solution was adjusted to PH=T2 by using 4 N NaOH (aq.) and washed with DCM (3x50 ml). The aqueous layer was acidified to PH=4 with 4 N HC1 (aq.), extracted with DCM (4x50 ml), dried over anhydrous Na?.S04. The organic layer was combined and concentrated to provide the product 3-(tert-butoxy)-2-methyi-3-oxopropanoic acid (540 mg, 36%) as colorless oil. MS: (ES, m/z) 175 [1 * H j.

Reference： [1]Condon, Sylvie; Le Gall, Erwan; Pichon, Christophe; Presset, Marc; Xavier, Tania [Beilstein Journal of Organic Chemistry, 2021, vol. 17, p. 2085 - 2094]
[2]Current Patent Assignee: COMET THERAPEUTICS - WO2020/113209, 2020, A1 Location in patent: Paragraph 2121

96
[ 56834-42-5 ]
[ 37472-52-9 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide In ethanol

Reference： [1]Dai, Qipu; Fu, Hui; Hu, Changwen; Li, Peihe; Li, Xiaoying; Wang, Zheng [Organic and Biomolecular Chemistry, 2020, vol. 18, # 23, p. 4439 - 4446]

97
[ 36016-38-3 ]
[ 37472-52-9 ]
C₁₃H₂₃NO₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dicyclohexyl-carbodiimide In dichloromethane at -15℃; for 0.5h;

Reference： [1]Dai, Qipu; Fu, Hui; Hu, Changwen; Li, Peihe; Li, Xiaoying; Wang, Zheng [Organic and Biomolecular Chemistry, 2020, vol. 18, # 23, p. 4439 - 4446]

98
[ 32864-38-3 ]
[ 37472-52-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hydride / tetrahydrofuran; paraffin oil / 0.5 h / 0 - 20 °C 1.2: 6 h / Reflux 2.1: potassium hydroxide / ethanol

Reference： [1]Dai, Qipu; Fu, Hui; Hu, Changwen; Li, Peihe; Li, Xiaoying; Wang, Zheng [Organic and Biomolecular Chemistry, 2020, vol. 18, # 23, p. 4439 - 4446]

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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CAS No. :	37472-52-9	MDL No. :	MFCD20639075
Formula :	C₈H₁₄O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IDARKWFFLKAWQP-UHFFFAOYSA-N
M.W :	174.19	Pubchem ID :	17851702
Synonyms :

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.66
TPSA :	63.6 Å²

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.39 cm/s

Log Po/w (iLOGP) :	1.68
Log Po/w (XLOGP3) :	1.37
Log Po/w (WLOGP) :	1.05
Log Po/w (MLOGP) :	0.93
Log Po/w (SILICOS-IT) :	0.53
Consensus Log Po/w :	1.11

[ CAS No. 37472-52-9 ] {[proInfo.proName]}

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Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.85

Log S (ESOL) :	-1.52
Solubility :	5.27 mg/ml ; 0.0303 mol/l
Class :	Very soluble
Log S (Ali) :	-2.31
Solubility :	0.856 mg/ml ; 0.00492 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.58
Solubility :	45.3 mg/ml ; 0.26 mol/l
Class :	Soluble

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.23

Signal Word:	Warning	Class:
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
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[ CAS No. 37472-52-9 ] {[proInfo.proName]}

Quality Control of [ 37472-52-9 ]

Related Doc. of [ 37472-52-9 ]

Product Details of [ 37472-52-9 ]

Calculated chemistry of [ 37472-52-9 ] Expand+

Physicochemical Properties

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Lipophilicity

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Medicinal Chemistry

Safety of [ 37472-52-9 ]

Application In Synthesis of [ 37472-52-9 ]

[ 37472-52-9 ] Synthesis Path-Downstream 1~98

Technical Information

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Esters

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[ 37472-52-9 ]