146621-92-3|N-Boc-2-(3-trifluoromethylphenyl)-DL-glycine| Ambeed

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Quality Control of [ 146621-92-3 ] Purity: 97% SDS Specification

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Product Details of [ 146621-92-3 ]

CAS No. :	146621-92-3
Formula :	C₁₄H₁₆F₃NO₄
M.W :	319.28
SMILES Code :	O=C(O)C(NC(OC(C)(C)C)=O)C1=CC=CC(C(F)(F)F)=C1
MDL No. :	MFCD07388839
InChI Key :	NVMKZXKHKQKKFE-UHFFFAOYSA-N
Pubchem ID :	22309176

Safety of [ 146621-92-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Computational Chemistry of [ 146621-92-3 ] Show Less

Physicochemical Properties

Num. heavy atoms	22
Num. arom. heavy atoms	6
Fraction Csp3	0.43
Num. rotatable bonds	7
Num. H-bond acceptors	7.0
Num. H-bond donors	2.0
Molar Refractivity	71.54
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	75.63 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	2.31
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	3.1
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	4.18
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	2.61
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.4
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	2.92

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-3.51
Solubility	0.0981 mg/ml ; 0.000307 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-4.36
Solubility	0.0141 mg/ml ; 0.000044 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-3.64
Solubility	0.0736 mg/ml ; 0.000231 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	Yes
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.05 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.56

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<0.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	2.95

Application In Synthesis of [ 146621-92-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 146621-92-3 ]

[ 146621-92-3 ] Synthesis Path-Downstream 1~35

1
[ 24424-99-5 ]
[ 242475-26-9 ]
[ 146621-92-3 ]

Yield	Reaction Conditions	Operation in experiment
200 g		To a suspension of 2-amino-2-(3-(trifluoromethyl) phenyl) acetic acid (commercially available) (200 g, 913 mmol) in t-BuOH (2500 mL) cooled to 0 C was added sodium hydroxide pellets (36 g, 892 mmol) solution with water (1000 mL), this solution was stirred for 10 min and Boc anhydride (289.6 g, 1339 mmol) was added portionwise. The mixture was then warmed to ambient temperature and stirred for 18 h. The reaction mixture was concentrated to remove t-Butanol and diluted with water and the pH was adjusted up to 5-6 with solid citric acid and extracted with ethyl acetate (3 x 1500 mL). The combined organic layer were dried over anhydrous sodium sulphate and evaporated to afford 2-[(tert-butoxy)carbonyl]amino}-2-[3- (trifluoromethyl)phenyl] acetic acid (200 g) as a colourless gum which was used in the next step without further purification. HNMR (400 MHz, DMSO-d6) delta 12.98 (bs, 1H), 7.81 (d, 1H, J = 9.20 Hz), 7.72 (dd, 2H, J = 17.2, 7.60 Hz), 7.59 (t, 1H, J = 8.00 Hz), 5.28 (d, 1H, J = 8.40 Hz), 1.39 (s, 9H);MS: m/z 318 (M-l).

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.
[2]Patent: WO2019/38315,2019,A1 .Location in patent: Page/Page column 27; 28.

2
[ 146621-92-3 ]
[ 95-95-4 ]
C₂₁H₁₇Cl₃F₃NO₆ [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

3
[ 82425-18-1 ]
[ 146621-92-3 ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

4
[ 146621-92-3 ]
(R)-1-[2-tert-Butoxycarbonylamino-2-(3-trifluoromethyl-phenyl)-acetyl]-pyrrolidine-2-carboxylic acid [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

5
[ 146621-92-3 ]
[ 1053181-86-4 ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

6
[ 146621-92-3 ]
[2-{(S)-2-[(S)-1-(Benzyloxycarbonylamino-imino-methyl)-2-oxo-piperidin-3-ylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(3-trifluoromethyl-phenyl)-ethyl]-carbamic acid tert-butyl ester [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

7
[ 146621-92-3 ]
Boc-DL-1-Phg(3-CF₃)-Pro-Arg-H*2HOAc [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

8
[ 2338-76-3 ]
[ 146621-92-3 ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 314 - 319.

9
[ 146621-92-3 ]
[ 95-53-4 ]
[ 672961-78-3 ]

Yield	Reaction Conditions	Operation in experiment
		2-AMINO-N- (2-METHYLPHENYL)-2- (3-TRIFLUOROMETHYLPHENYL)] acetamide was isolated from 3-trifluoromethyl-N-Boc phenylglycine (250. Omg, 0. [782MMOL),] [N-METHYLMORPHOLINE] (0.087mL, 0. [861MMOL), ISOBUTYLCHLOROFORMATE] (0.20mL, 0. [861MMOL), O-TOLUIDINE] (100.5mg, 0. [938MMOL)] and N-methylmorpholine (0.095mL, 0. [872MMOL)] and formic acid.

References: [1]Patent: WO2004/22534,2004,A1 .Location in patent: Page 144.

10
[ 146621-92-3 ]
[ 1134915-25-5 ]

Yield	Reaction Conditions	Operation in experiment
99%	With hydrogenchloride; In 1,4-dioxane; at 20℃;	Example 95A Amino[3-(trifluoromethyl)phenyl]acetic acid hydrochloride A quantity of 1.00 g (3.13 mmol) of <strong>[146621-92-3]N-tert-butoxycarbonyl-2-(3-trifluoromethylphenyl)-DL-glycine</strong> was admixed with 15.7 ml of a 4N solution of hydrogen chloride in dioxane and stirred at RT overnight. The volatile components were removed on a rotary evaporator. The residue was dried in an HV. This gave 795 mg (99% of theory) of the title compound. LC/MS [Method 2]: Rt=0.79 min; m/z=220 (M+H)+

References: [1]Patent: US2010/261771,2010,A1 .Location in patent: Page/Page column 44.

11
[ 146621-92-3 ]
[ 1245622-58-5 ]

Yield	Reaction Conditions	Operation in experiment
52%		Example 59Atert-Butyl {2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate A solution of 4.00 g (12.5 mmol) of <strong>[146621-92-3]N-tert-butoxycarbonyl-2-(3-trifluoromethylphenyl)-DL-glycine</strong> and 2.1 ml (15 mmol) of triethylamine in 50 ml of THF was cooled at 0 C. and admixed dropwise with 1.79 ml (13.8 mmol) of isobutyl chloroformiate. The resulting thick suspension was stirred at 0 C. for 1 h more, then filtered into a cooled flask. The solid was washed with a little THF and the entire filtrate was added slowly dropwise to an ice-cooled suspension of sodium borohydride (1.42 g, 37.6 mmol) in 6 ml of water (strong gas evolution). The mixture was stirred vigorously at 0 C. for 1 h more, then admixed with 5 ml of 1N hydrochloric acid and extracted three times with ethyl acetate. The organic phase was washed with 1N aqueous sodium hydroxide solution and then twice with saturated aqueous sodium hydrogen carbonate solution, dried over sodium sulphate and concentrated on a rotary evaporator. The residue was purified by preparative HPLC (Method 10). This gave 2.00 g of the title compound (52% of theory).LC/MS [Method 5]: Rt=1.02 min; m/z=328 (M+Na)+, 206 (M+FH-BOC)+.1H NMR (DMSO-d6, 00 MHz): delta=7.65 (s, 1H), 7.51-7.62 (m, 3H), 7.37 (br. d, 1H), 4.86 (t, 1H), 4.57-4.66 (m, 1H), 3.46-3.58 (m, 2H), 1.37 (s, 9H).
28 g		To a suspension of 2-[(tert-butoxy)carbonyl]amino}-2-[3- (trifluoromethyl)phenyl] acetic acid (from Step 1) (50 g, 157.70 mmol) intetrahydrofuran (THF) (150 mL) was added triethyl amine (24.61 mL, d= 0.726 g/cm3, 175.40 mmol) and isobutyl chloroformate (20.49 g, 157.70 mmol) at 0 C and stirred at same temperature for 4h. The solid formed was filter off at 0 C and the residue was washed with THF (50 mL). The combined filtrate was added to a cooled mixture of sodium borohydride (14.19 g, 383.50 mmol) in water (100 mL). The reaction mass was slowly warmed to ambient temperature for 30h.The reaction mass was quenched with ice cold water (500 mL) and extracted with ethyl acetate (3 xlOOO mL) and the combined organic layer was washed with brine (50 mL). The organic layer was dried over sodium sulphate, filtered and concentrated to afford yellowish liquid (41 g) which was purified by column chromatography by using 35% ethyl acetate in petroleum ether to afford tert-butyl N-{2-hydroxy-l-[3- (trifluoromethyl)phenyl] ethyl} carbamate (28 g) as off- white solid. NMR (400 MHz, DMSO-de) delta 7.64 (s, 1Eta),7.60-7.52 (m, 3H), 7.37 (d, 1H, J = 8.00 Hz), 4.86 (t, 1H, J = 6.00 Hz), 4.60 (d, 1H, J = 6.80 Hz), 3.55-3.48 (m, 2H), 1.36 (s, 9H); MS: m/z 206 [ (M+l)-Boc].

References: [1]Patent: US2010/261771,2010,A1 .Location in patent: Page/Page column 35.
[2]Patent: WO2019/38315,2019,A1 .Location in patent: Page/Page column 27-29.

12
[ 22059-22-9 ]
[ 146621-92-3 ]
[ 1268635-92-2 ]

Yield	Reaction Conditions	Operation in experiment
66%		Example 26A tert-Butyl {(3-methyl-1,2,4-oxadiazol-5-yl)[3-(trifluoromethyl)phenyl]methyl}carbamate (Racemate) A quantity of 319 mg of <strong>[146621-92-3](DL)-[(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid</strong> (1.0 mmol) in 2 ml of DMF and 6 ml of dichloromethane was admixed with 162 mg (1.2 mmol) of HOBt, 230 mg (1.2 mmol) of EDC, 89 mg (1.2 mmol) of N-hydroxyacetamidine and 261 mul of N,N-diisopropylethylamine and the reaction mixture was stirred at RT overnight. The dichloromethane was removed on a rotary evaporator and the remaining mixture was diluted with ethyl acetate. This organic phase was washed with saturated aqueous sodium hydrogen carbonate solution and then with saturated aqueous sodium chloride solution, dried over sodium sulphate and concentrated on a rotary evaporator to remove the solvent. The residue was heated to reflux in 4 ml of pyridine for 30 minutes, then cooled to RT. The pyridine was removed on a rotary evaporator and the residue was purified by preparative HPLC (Method 10). This gave 237 mg (66% of theory) of the title compound. LC-MS [Method 1]: Rt=0.95 min; MS [ESneg]: m/z=356 (M-H)- 1H-NMR (400 MHz, DMSO-d6): delta [ppm]=1.40 (s, 9H), 2.26-2.35 (m, 3H), 6.29 (d, 1H), 7.60-7.67 (m, 1H), 7.76 (dd, 2H), 7.89 (s, 1H), 8.43 (d, 1H).

References: [1]Patent: US2012/208852,2012,A1 .Location in patent: Page/Page column 24.

13
[ 146621-92-3 ]
[ 1268635-82-0 ]

Yield	Reaction Conditions	Operation in experiment
98%		Example 23A tert-Butyl {2-hydrazino-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate (Racemate) A solution of 640 mg of <strong>[146621-92-3](DL)-[(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid</strong> (2.0 mmol) in 4 ml of acetonitrile was admixed with 500 mg (2.61 mmol) of EDC and 352 mg (2.61 mmol) of HOBt and stirred at RT for 20 minutes. The resulting solution was added dropwise to a solution, cooled to 0 C. beforehand, of hydrazine hydrate (195 mul, 4.01 mmol) and cyclohexene (40.6 mg, 0.49 mmol) in 2 ml of acetonitrile. The entire reaction mixture was stirred for 30 minutes and then admixed with 50 ml of water. The acetonitrile was removed on a rotary evaporator. The aqueous phase which remained was extracted three time with ethyl acetate. The combined organic phases were washed with 2M aqueous sodium carbonate solution, saturated aqueous sodium chloride solution and dried over sodium sulphate. The solvent was removed on a rotary evaporator and the residue was dried under a high vacuum. This gave 652 mg (98% of theory) of the title compound. LC-MS [Method 2]: Rt=1.90 min; MS [ESpos]: m/z=334 (M+H)+ 1H-NMR (400 MHz, DMSO-d6): delta [ppm]=1.37 (s, 9H), 4.25-4.33 (m, 2H), 5.23 (d, 1H), 7.53-7.67 (m, 3H), 7.71 (d, 1H), 7.80 (s, 1H), 9.41-9.47 (m, 1H).

References: [1]Patent: US2012/208852,2012,A1 .Location in patent: Page/Page column 23.

14
[ 146621-92-3 ]
[ 1268635-85-3 ]

References: [1]Patent: US2012/208852,2012,A1 .

15
[ 124-68-5 ]
[ 146621-92-3 ]
[ 1366063-61-7 ]

Yield	Reaction Conditions	Operation in experiment
74%		Example 29A tert-Butyl {2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-carbamate (racemate) 360 mg (1.88 mmol) of EDC were added to a mixture of 400 mg (1.25 mmol) of [(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid and 254 mg (1.88 mmol) of HOBt in 10 ml of DMF, and the mixture was stirred at RT for 20 min. The resulting solution was added dropwise to a solution of 168 mg (1.88 mmol) of 2-amino-2-methyl-1-propanol in 2 ml of DMF. The reaction mixture was stirred at RT for 20 min. For purification, 1 ml of 1N hydrochloric acid was added and the entire reaction mixture was separated by preparative HPLC [Method 6]. The appropriate fraction was concentrated on a rotary evaporator and the residue was dried under high vacuum. This gave 364 mg (74% of theory) of the title compound. LC-MS [Method 3]: Rt=1.21 min; MS [ESIpos]: m/z=391 (M+H)+ 1H-NMR (400 MHz, DMSO-d6): delta [ppm]=1.13 (s, 3H), 1.14 (s, 3H), 1.38 (s, 9H), 3.26-3.32 (m, 1H), 3.41 (dd, 1H), 4.79 (t, 1H), 5.29 (d, 1H), 7.35 (d, 1H), 7.57 (t, 1H), 7.63 (d, 1H), 7.67-7.79 (m, 3H).

References: [1]Patent: US2013/231313,2013,A1 .Location in patent: Paragraph 0462; 0463; 0464; 0465.

16
[ 141-43-5 ]
[ 146621-92-3 ]
[ 1366063-04-8 ]

Yield	Reaction Conditions	Operation in experiment
58%		General procedure: Analogously to Example 18A, but without N,N?-diisopropylethylamine, 319 mg (1.0 mmol) of [(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid and 183 mg (3.0 mmol) of 2-ethanolamine gave 210 mg (58% of theory) of the title compound. [0487] LC-MS [Method 4]: Rt=1.05 min; MS [ESIpos]: m/z=363 (M+H)+ [0488] 1H-NMR (400 MHz, DMSO-d6): delta [ppm]=1.37 (d, 9H), 3.01-3.22 (m, 2H), 3.34-3.43 (m, 2H), 4.68 (t, 1H), 5.29 (d, 1H), 7.49 (d, 1H), 7.57 (t, 1H), 7.64 (d, 1H), 7.71 (d, 1H), 7.78 (s, 1H), 8.29 (t, 1H).

References: [1]Patent: US2013/231313,2013,A1 .Location in patent: Paragraph 0485; 0486; 0487; 0488.

17
[ 72784-47-5 ]
[ 146621-92-3 ]
[ 1366062-82-9 ]

Yield	Reaction Conditions	Operation in experiment
96%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃;	Example 17A Ethyl 1-([(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetyl}amino)cyclopropanecarboxylate A mixture of 500 mg (1.57 mmol) of <strong>[146621-92-3][(tert-butoxycarbonyl)amino][3-(trifluoromethyl)-phenyl]acetic acid</strong>, 243 mg (1.88 mmol) of ethyl 1-aminocyclopropanecarboxylate, 450 mg (2.35 mmol) of EDC and 317 mg (2.35 mmol) of HOBt in 10 ml of DMF was stirred at RT overnight. The reaction mixture was diluted with ethyl acetate and washed twice with 1N hydrochloric acid and once with a saturated aqueous sodium bicarbonate solution. The organic phase was dried over sodium sulphate and then freed from the solvent on a rotary evaporator. The residue was dried under high vacuum. This gave 650 mg (96% of theory) of the title compound. LC-MS [Method 1]: Rt=2.11 min; MS [ESIpos]: m/z=431 (M+H)+ 1H-NMR (400 MHz, DMSO-d6): delta [ppm]=0.92 (t, 3H), 0.95-1.04 (m, 2H), 1.24-1.33 (m, 2H), 1.37 (s, 9H), 3.89 (q, 2H), 5.23 (d, 1H), 7.50 (br. d, 1H), 7.59 (t, 1H), 7.66 (d, 1H), 7.73 (d, 1H), 7.80 (s, 1H), 8.91 (s, 1H).

References: [1]Patent: US2013/231313,2013,A1 .Location in patent: Paragraph 0416; 0417; 0418; 0419.

18
[ 146621-92-3 ]
[ 1366063-16-2 ]