[ CAS No. 7250-53-5 ] {[proInfo.proName]}

Name: 7250-53-5|Quinoline-5-carboxylic acid|98%
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SKU: A121026
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2D 3D

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Quality Control of [ 7250-53-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 7250-53-5 ]

CAS No. :	7250-53-5	MDL No. :	MFCD00047608
Formula :	C₁₀H₇NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RAYMXZBXQCGRGX-UHFFFAOYSA-N
M.W :	173.17	Pubchem ID :	232489
Synonyms :

Calculated chemistry of [ 7250-53-5 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.7
TPSA :	50.19 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.32
Log Po/w (XLOGP3) :	1.37
Log Po/w (WLOGP) :	1.93
Log Po/w (MLOGP) :	1.34
Log Po/w (SILICOS-IT) :	1.82
Consensus Log Po/w :	1.56

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.28
Solubility :	0.909 mg/ml ; 0.00525 mol/l
Class :	Soluble
Log S (Ali) :	-2.03
Solubility :	1.63 mg/ml ; 0.0094 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.07
Solubility :	0.147 mg/ml ; 0.000851 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.1

Safety of [ 7250-53-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 7250-53-5 ]

* 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.

Upstream synthesis route of [ 7250-53-5 ]
Downstream synthetic route of [ 7250-53-5 ]

[ 7250-53-5 ] Synthesis Path-Upstream 1~4

1
[ 7250-53-5 ]
[ 22934-41-4 ]

Reference： [1] Journal of Medicinal Chemistry, 1985, vol. 28, # 12, p. 1803 - 1810
[2] Journal of the Chemical Society, 1943, p. 413,416

2
[ 7661-55-4 ]
[ 22934-41-4 ]
[ 7250-53-5 ]

Reference： [1] Zhurnal Obshchei Khimii, 1944, vol. 14, p. 330,334[2] Chem.Abstr., 1945, p. 4076

3
[ 99-05-8 ]
[ 56-81-5 ]
[ 1078-30-4 ]
[ 7250-53-5 ]

Reference： [1] Chemistry of Natural Compounds, 1982, vol. 18, p. 604 - 605[2] Khimiya Prirodnykh Soedinenii, 1982, vol. 18, # 5, p. 638 - 640
[3] Chemistry of Natural Compounds, 1982, vol. 18, p. 604 - 605[4] Khimiya Prirodnykh Soedinenii, 1982, vol. 18, # 5, p. 638 - 640

4
[ 186581-53-3 ]
[ 7250-53-5 ]
[ 16675-62-0 ]

Reference： [1] Journal of the American Chemical Society, 1951, vol. 73, p. 5622,5627

[ 7250-53-5 ] Synthesis Path-Downstream 1~88

1
[ 186581-53-3 ]
[ 7250-53-5 ]
[ 16675-62-0 ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 5622,5627

2
[ 7661-55-4 ]
[ 22934-41-4 ]
[ 7250-53-5 ]

Reference： [1]Zhurnal Obshchei Khimii,1944,vol. 14,p. 330,334
Chem.Abstr.,1945,p. 4076

3
[ 7661-55-4 ]
[ 7250-53-5 ]

Reference： [1]Chemische Berichte,1910,vol. 43,p. 3031

4
[ 7250-53-5 ]
[ 71-36-3 ]
quinoline-5-carboxylic acid butyl ester [ No CAS ]

Reference： [1]Farmaco, Edizione Scientifica,1950,vol. 5,p. 635,641

5
[ 7250-53-5 ]
[ 98421-25-1 ]

Reference： [1]Chemical and pharmaceutical bulletin,1959,vol. 7,p. 329
[2]Kanazawa Daigaku Yakugakubu Kenkyu Nempo,1957,vol. 7,p. 10
Chem.Abstr.,1958,p. 9148
[3]Journal of the Chemical Society,1943,p. 413,416

6
[ 61-54-1 ]
[ 7250-53-5 ]
[ 85403-74-3 ]

Reference： [1]Chemistry of Natural Compounds,1982,vol. 18,p. 601 - 603
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 635 - 638

7
[ 7250-53-5 ]
[ 64-17-5 ]
[ 98421-25-1 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

8
[ 7250-53-5 ]
[ 64-04-0 ]
[ 118990-93-5 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 494 - 497

9
[ 7250-53-5 ]
[ 114527-54-7 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In acetic acid;	(1) To a mixture of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (4 g) in acetic acid (40 ml) was added borane-pyridine complex (8.59 g) at ambient temperature. After stirred for 18 hours, to the reaction mixture was added 1N hydrochloric acid and heated at 90 C. for 1 hour. The mixture was neutralized with aqueous sodium bicarbonate solution and ethyl acetate was added thereto. The precipitate was filtered off. The organic layer was separated, washed with water, dried over magnesium sulfate and evaporated in vacuo. The residue was purified by flash silica gel chromatography eluted with chloroform-methanol and crystallized from diisopropyl ether to give 1,2,3,4-tetrahydro<strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (1.12 g) as pale brown crystals. mp: 135-138 C., NMR (CDCl3, delta) 1.89-1.99 (2H, m), 3.12 (2H, t,. J=7 Hz), 3.30 (2H, t, J=7 Hz), 6.67 (1H, d, J=8 Hz), 7.02 (1H, t, J=8 Hz), 7.32 (1H, d, J=8 Hz) (2) 1,2,3,4-Tetrahydro-5-hydroxymethylquinoline was obtained according to a similar manner to that of Preparation 6-(2). mp: 120-122 C., NMR (CDCl3, delta): 1.92-2.03 (2H, m), 2.78 (2H, t, J=7 Hz), 3.28 (2H, t, J=7 Hz), 3.37 (1H, br s), 4.61 (2H, s), 6.45 (1H, d, J=8 Hz), 6.68 (1H, d, J=8 Hz), 6.98 (1H, t, J=8 Hz).
		To a mixture of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (4 g) in acetic acid (40 ml) was added borane-pyridine complex (8.59 g) at ambient temperature. After stirred for 18 hours, to the reaction mixture was added 1N hydrochloric acid and heated at 90 C. for 1 hour. The mixture was neutralized with aqueous sodium bicarbonate solution and ethyl acetate was added thereto. The precipitate was filtered off. The organic layer was separated, washed with water, dried over magnesium sulfate and evaporated in vacuo. The residue was purified by flash silica gel chromatography eluted with chloroform-methanol and crystallized from diisopropyl ether to give 1,2,3,4-tetrahydro<strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (1.12 g) as pale brown crystals. mp 135-138 C. 1H NMR (CDCl3, delta): 1.89-1.99 (2H, m), 3.12 (2H, t, J=7 Hz), 3.30 (2H, t, J=7 Hz), 6.67 (1H, d, J=8 Hz), 7.02 (1H, t, J=8 Hz), 7.32 (1H, d, J=8 Hz).

Reference： [1]Chemistry of Heterocyclic Compounds,1988,vol. 24,p. 65 - 67
Khimiya Geterotsiklicheskikh Soedinenii,1988,vol. 24,p. 77 - 79
[2]Patent: US6008229,1999,A
[3]Patent: US6344462,2002,B1 .Location in patent: Page column 58

10
[ 7250-53-5 ]
5-quinolinecarbonyl azide [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1981,vol. 29,p. 237 - 244

11
[ 7250-53-5 ]
[ 441004-94-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1992,vol. 27,p. 977 - 984
[2]Journal of Medicinal Chemistry,1995,vol. 38,p. 3094 - 3105
[3]Journal of Medicinal Chemistry,2006,vol. 49,p. 3659 - 3666
[4]Journal of Medicinal Chemistry,2009,vol. 52,p. 4883 - 4891
[5]Organic Letters,2019,vol. 21,p. 5981 - 5985

12
[ 99-05-8 ]
[ 56-81-5 ]
[ 1078-30-4 ]
[ 7250-53-5 ]

Reference： [1]Chemistry of Natural Compounds,1982,vol. 18,p. 604 - 605
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 638 - 640
[2]Chemistry of Natural Compounds,1982,vol. 18,p. 604 - 605
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 638 - 640

13
[ 7250-53-5 ]
[ 21230-51-3 ]
[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazin-1-yl]-quinolin-5-yl-methanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 877 - 893

14
[ 7250-53-5 ]
[ 169253-22-9 ]
[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazin-1-yl]-quinolin-5-yl-methanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 877 - 893

15
[ 7250-53-5 ]
[ 899431-51-7 ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 3659 - 3666

16
[ 7250-53-5 ]
[2-Methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-quinolin-5-yl-methanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3094 - 3105

17
[ 7250-53-5 ]
[ 22934-41-4 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810
[2]Journal of the Chemical Society,1943,p. 413,416

18
[ 7250-53-5 ]
[ 16178-42-0 ]

Yield	Reaction Conditions	Operation in experiment
48%		Example 38 N4-[(trans-4-aminocyclohexyl)methyl]-5-nitro-N2-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine To a solution of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (500 mg, 2.83 mmol) in THF (10 mL) was added slowly LiAlH4 (1.0 M, THF) solution at 0 C. The resulting residue was heated to 70 C. for 3 h and stirred at room temperature for 16 h. The reaction mixture was cooled to 0 C. and quenched with water (1 mL) and 10% NaOH (1.5 mL) solution. The reaction mixture was stirred for 1 h. The solution was filtered through a pad of celite and rinsed with THF. The filtrate was concentrated and the resulting residue was purified by silica gel prep TLC using 95:5 CH2Cl2:MeOH as an eluent to afford 218 mg of quinolin-5-yl-methanol (48%).

Reference： [1]Patent: US2006/25433,2006,A1 .Location in patent: Page/Page column 123
[2]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810
[3]Chemical and pharmaceutical bulletin,1959,vol. 7,p. 329

19
[ 7250-53-5 ]
[ 98421-27-3 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

20
[ 7250-53-5 ]
[ 98421-28-4 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

21
[ 7250-53-5 ]
[ 98421-26-2 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

22
[ 7250-53-5 ]
[ 1080-96-2 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

23
[ 7250-53-5 ]
[ 98421-33-1 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

24
[ 7250-53-5 ]
[ 98421-34-2 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

25
[ 7250-53-5 ]
[ 98421-31-9 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

26
[ 7250-53-5 ]
[ 98421-32-0 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

27
[ 7250-53-5 ]
[ 98421-29-5 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1803 - 1810

28
[ 7250-53-5 ]
N-<(5-quinolinyl)thiocarbonyl>-N-methylglycine [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1992,vol. 27,p. 977 - 984

29
[ 7250-53-5 ]
[ 148887-47-2 ]

Reference： [1]European Journal of Medicinal Chemistry,1992,vol. 27,p. 977 - 984

30
[ 7250-53-5 ]
[ 148887-50-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1992,vol. 27,p. 977 - 984

31
[ 7250-53-5 ]
[ 85403-68-5 ]

Reference： [1]Chemistry of Natural Compounds,1982,vol. 18,p. 601 - 603
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 635 - 638

32
[ 7250-53-5 ]
[ 85412-78-8 ]

Reference： [1]Chemistry of Natural Compounds,1982,vol. 18,p. 601 - 603
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 635 - 638
[2]Chemistry of Natural Compounds,1982,vol. 18,p. 601 - 603
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 635 - 638

33
[ 7250-53-5 ]
[ 85403-69-6 ]

Reference： [1]Chemistry of Natural Compounds,1982,vol. 18,p. 601 - 603
Khimiya Prirodnykh Soedinenii,1982,vol. 18,p. 635 - 638

34
[ 7250-53-5 ]
5-isocyanato-quinoline [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1981,vol. 29,p. 237 - 244

35
[ 7250-53-5 ]
[ 118990-94-6 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 494 - 497

36
[ 7250-53-5 ]
[ 118128-78-2 ]

Reference： [1]Chemistry of Heterocyclic Compounds,1988,vol. 24,p. 65 - 67
Khimiya Geterotsiklicheskikh Soedinenii,1988,vol. 24,p. 77 - 79

37
[ 7250-53-5 ]
[ 96541-83-2 ]

Reference： [1]Journal of the Chemical Society,1943,p. 413,416

38
[ 7250-53-5 ]
[ 858784-68-6 ]

Reference： [1]Journal of the Chemical Society,1943,p. 413,416

39
[ 7250-53-5 ]
4-[5]quinolyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester [ No CAS ]

Reference： [1]Journal of the Chemical Society,1943,p. 413,416

40
[ 7250-53-5 ]
[ 16032-48-7 ]

Reference： [1]Chemical and pharmaceutical bulletin,1959,vol. 7,p. 329

41
[ 7250-53-5 ]
[ 105788-23-6 ]

Reference： [1]Chemical and pharmaceutical bulletin,1959,vol. 7,p. 329

42
[ 7250-53-5 ]
[ 305794-41-6 ]
5-[[4-[4-[(4-bromophenyl)(2-pyridinyloxy)methyl]-1-piperidinyl]-4-methyl-1-piperidinyl]carbonyl]quinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; HATU; In DMF (N,N-dimethyl-formamide); at 20℃; for 16h;	To a stirred solution of 4- [ (4-bromophenyl) (2-pyridinyloxy) methyl]-1- (4-methyl-4- piperidinyl) piperidine (50 mg, 0.11 MMOL), <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (21 mg, 0.12 MMOL), and ET3N (22 mg, 0.22 MMOL) in DMF (2 mL), HATU (55 mg, 0.14 MMOL) was added at room temperature. After 16 h the mixture was poured into ice water (10 mL), and extracted with CH2CI2 (3X10 mL). The organic phase was dried over NA2SO4, and concentrated in vacuo. The crude product was purified by preparative TLC to afford the title compound. MS : 599 (M+). H NMR (CDCI3, 400MHZ) 8 0.93 (d, 3H), 1.0-1. 58 (m, 5H), 1.58-2. 2 (m, 7H), 2.5-3. 1 (m, 3H), 3.1- 3.65 (m, 2H), 4. 1-4. 4 (m, 1H), 5.7-5. 95 (m, 1H), 6.5-6. 9 (m, 2H), 7.22 (m, 2H), 7.3-7. 6 (m, 4H), 7.6-7. 8 (m, 1H), 7.95-8. 3 (m, 3H), 8.7-8. 95 (m, 1H).

Reference： [1]Patent: WO2004/113323,2004,A1 .Location in patent: Page 53

43
[ 7250-53-5 ]
[ 816448-92-7 ]
5-[[4-[4-[(E)-(4-bromophenyl)(ethoxyimino)methyl]-1-piperidinyl]-4-methyl-1-piperidinyl]carbonyl]quinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; HATU; In DMF (N,N-dimethyl-formamide); at 20℃; for 16h;	To a stirred solution OF 4-[(E)-(4-BROMOPHENYL) (ETHOXYiMINO) METHYL]-1-(4-METHYL-4- piperidinyl) piperidine (150 mg, 0.37 MMOL), <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (70 mg, 0.4 MMOL), and Et3N (74 mg, 0.73 MMOL) in DMF (10 mL), HATU (183 mg, 0.48 MMOL) was added at room temperature. After 16 h the mixture was poured into ice water and filtered. The solid was dissolved in CH2CI2 (2 mL) and purified by flash chromatography to afford the title compound as a brown solid. MS: 563 (M+). H NMR (CDCI3, 400MHZ) 8 0.9 (d, 3H), 1.2 (t, 3H), 1.2-1. 84 (m, 7H), 1.95-2. 2 (m, 3H), 2.3-2. 5 (m, 1 H), 2.7-2. 82 (m, 1 H), 2.9-3. 08 (m, 2H), 3.2-3. 6 (m, 2H), 4.04 (q, 2H), 4.25-4. 40 (m, 1H), 7.08-7. 14 (d, 2H), 7.4-7. 5 (m, 4H), 7.7 (m, 1H), 8.1-8. 3 (m, 2H), 8.9- 9.0 (m, 1 H).

Reference： [1]Patent: WO2004/113323,2004,A1 .Location in patent: Page 43; 44

44
[ 7250-53-5 ]
7-acetyl-trans-3-(2-(1-(4-amino)cyclohexyl)ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine [ No CAS ]
trans-7-acetyl-3-(2-(1-(4-(5-quinolinyl)carboxamido)cyclohexyl)ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 18h;	A mixture of 7-acetyl-trans-3- (2- (1- (4-amino) cyclohexyl) ethyl)-2, 3,4, 5-tetrahydro- 1 H-3-benzazepine (0.105 g, 0.334 mmol) (prepared according to WO 00/21951), <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (0.064 g, 0.368 mmol), 1- (3-dimethylaminopropyl)-3- ethylcarbodiimide hydrochloride (0.071 g, 0.368 mmol) and 1-hydroxybenzotriazole hydrate (0.01 g, 0.065 mmol) in dichloromethane (6 ml) was shaken for 18 h. Saturated aqueous sodium hydrogen carbonate (6 ml) was added and shaking continued for a further 0.5 h. The organic layer was separated and pipetted onto a column of silica (10 g). Elution with 30-100% ethyl acetate-hexane gradient then 1-10% methanol-ethyl acetate gradient gave the title compound as a colorless solid (0.1 g, 64%). Mass spectrum (API+) : 470 (MH+)

Reference： [1]Patent: WO2005/94834,2005,A1 .Location in patent: Page/Page column 25-26

45
[ 7250-53-5 ]
trans-3-(2-(1-(4-amino)cyclohexyl)ethyl)-7-cyano-2,3,4,5-tetrahydro-1H-3-benzazepine [ No CAS ]
trans-(E)-7-cyano-3-(2-(1-(4-(5-quinolinyl)carboxamido)cyclohexyl)ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride;benzotriazol-1-ol; In dichloromethane; for 16h;	A mixture of trans-3- (2- (1- (4-amino) cyclohexyl) ethyl)-7-cyano-2, 3,4, 5-tetrahydro- 1 H-benzazepine (0.10 g, 0.34 mmol), <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (0.057 g, 0.37 mmol), 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (0.065 g, 0.34 mmol), 1-hydroxybenzotriazole (catalytic amount) and dichloromethane (8 ml) was shaken for 16 h. Saturated sodium bicarbonate (4 ml) was then added and the mixture shaken for 0.25 h. Chromatography on the organic layer on silica eluting with a gradient of 30-100% ethyl acetate in hexane and then 0-10% methanol in ethyl acetate gave the title compound (0.130 g, 86%). Mass spectrum (API+) Found 453 (MH+). C29H32N40 requires 452. 1 H NMR (CDC13) 8 : 1.12-1. 35 (5H, m), 1.41-1. 51 (2H, m), 1.83-1. 89 (2H, m), 2.15-2. 24 (2H, m), 2.48-2. 55 (2H, m), 2.60-2. 66 (4H, m), 2.91-2. 99 (4H, m), 3.97-4. 13 (1H, m), 5.86 (1H, d, J = 8 Hz), 7.18 (1H, d, J = 8 Hz), 7.37-7. 49 (3H, m), 7.63-7. 70 (2H, m), 8.15-8. 20 (1 H, m), 8.71-8. 76 (1 H, m), 8.94-8. 96 (1 H, m).

Reference： [1]Patent: WO2005/94835,2005,A1 .Location in patent: Page/Page column 73-74

46
[ 7250-53-5 ]
[ 13734-34-4 ]
1N-(N-(5-quinoline-carbonyl)-L-phenylalaninyl)amino-3-[3-(2-pyridyl)phenylacetyl]amino-2-butanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		a 1N-(N-(5-Quinoline-carbonyl)-L-phenylalaninyl)amino-3-[3-(2-pyridyl)phenylacetyl]amino-2-butanone Following the procedure of Example 1(a-e), (g-i) except substituting "<strong>[7250-53-5]5-quinoline-carboxylic acid</strong>" for "2-thianaphthenylcarboxylic acid" and "Boc-L-phenylalanine" for "Boc-L-leucine" gave the title compound: MS (ES+) 600.2 (M+H+).

Reference： [1]Patent: US6518267,2003,B1

Yield	Reaction Conditions	Operation in experiment
8%		Preparation 21 1,2,3,4-tetrahydro-5-quinolinecarboxylic acid A solution containing 1.03 g (5.95 mmol) of the titled compound of Preparation 20, 1.87 g (29.77 mmol) of ammonium formate in 100 mL of ethanol was purged with nitrogen for 10 minutes. To this solution was added 0.5 g of palladium black and the resultant reaction mixture was filtered; the resultant filtrate was concentrated under reduced pressure to provide a residue. This residue was partitioned between water (pH 4) and a solution of 10% isopropanol in chloroform. The resulting layers were separated, and the organic layer was washed with water (pH=4), dried over sodium sulfate, filtered, and concentrated to provide crude material. This material was purified using radial chromatography (2 mm plate; gradient eluent of 5-10% methanol in methylene chloride containing 1% acetic acid) to provide 87 mg of a tan solid. Yield: 8%. 1 H NMR (CDCl3): delta 1.04 (m, 2H), 2.16 (t, 2H), 2.40 (m, 2H), 5.81 (d, J=8.05 Hz, 1H), 6.09 (t, J=7.78 Hz, 1H), 6.23 (d, J=7.96 Hz, 1H). IR (KBr): 3296, 2965, 2929, 1691, 1597, 1474, 1461, 1443, 1350, 1305, 1279, 1236, 1184, 1159, 1106, 1073, 1022, 827 cm-1. MS(FD): m/e 177 (M+,100). Analysis for C10 H11 NO2: Calcd: C, 67.78; H, 6.26; N, 7.90; Found: C, 67.96; H, 6.10; N, 7.88.
8%		Preparation 21 1,2,3,4-tetrahydro-5-quinolinecarboxylic acid A solution containing 1.03 g (5.95 mmol) of the titled compound of Preparation 20, 1.87 g (29.77 mmol) of ammonium formate in 100 nil of ethanol was purged with nitrogen for 10 minutes. To this solution was added 0.5 g of palladium black and the resultant reaction mixture was heated to 65 C. After approximately three hours, the reaction mixture was filtered; the resultant filtrate was concentrated under reduced pressure to provide a residue. This residue was partitioned between water (pH 4) and a solution of 10% isopropanol in chloroform. The resulting layers were separated, and the organic layer was washed with water (pH=4), dried over sodium sulfate, filtered, and concentrated to provide crude material. This material was purified using radial chromatography (2 mm plate; gradient eluent of 5-10% methanol in methylene chloride containing 1% acetic acid) to provide 87 mg of a tan solid. Yield: 8%. 1 H NMR (CDCl3): delta1.04 (m, 2H), 2.16 (t, 2H), 2.40 (m, 2H), 5.81 (d, J=8.05 Hz, 1H), 6.09 (t, J=7.78 Hz, 1H), 6.23 (d, J=7.96 Hz, 1H). IR(KBr): 3296, 2965, 2929, 1691, 1597, 1474, 1461, 1443, 1350, 1305, 1279, 1236, 1184, 1159, 1106, 1073, 1022, 827 cm-1. MS(FD): m/e 177 (M+, 100). Analysis for C10 H11 NO2: Calcd: C, 67.78; H, 6.26; N, 7.90; Found: C, 67.96; H, 6.10; N, 7.88.
8%		PREPARATION 21 1,2,3,4-tetrahydro-5-quinolinecarboxylic acid A solution containing 1.03 g (5.95 mmol) of the titled compound of Preparation 20, 1.87 g (29.77 mmol) of ammonium formate in 100 mL of ethanol was purged with nitrogen for 10 minutes. To this solution was added 0.5 g of palladium black and the resultant reaction mixture was heated to 65 C. After approximately three hours, the reaction mixture was filtered; the resultant filtrate was concentrated under reduced pressure to provide a residue. This residue was partitioned between water (pH 4) and a solution of 10% isopropanol in chloroform. The resulting layers were separated, and the organic layer was washed with water (pH=4), dried over sodium sulfate, filtered, and concentrated to provide crude material. This material was purified using radial chromatography (2mm plate; gradient eluent of 5-10% methanol in methylene chloride containing 1% acetic acid) to provide 87 mg of a tan solid. Yield: 8%. 1 H NMR (CDCl3): delta1.04 (m, 2H), 2.16 (t, 2H), 2.40 (m, 2H), 5.81 (d, J=8.05 Hz, 1H), 6.09 J=7.78 Hz, 1H), 6.23 (d, J=7.96 Hz, 1H). IR(KBr): 3296, 2965, 2929, 1691, 1597, 1474, 1461, 1443, 1350, 1305, 1279, 1236, 1184, 1159, 1106, 1073, 1022, 827 cm-1. MS(FD): m/e 177 (M+, 100). Analysis for C10 H11 NO2: Calcd: C, 67.78; H, 6.26; N, 7.90; Found: C, 67.96; H, 6.10; N, 7.88.

48
[ 7250-53-5 ]
C-{trans-4-[1-(1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl)methyl]-cyclohexyl}-methylamine [ No CAS ]
quinoline-5-carboxylic acid {trans-4-[1-(1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl)methyl]-cyclohexylmethyl}-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
93%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; for 20h;	12d) Preparation of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> {trans-4-[1-(1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl)methyl]-cyclohexylmethyl}-amide A solution of C{trans-4-[1-(1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl)methyl]-cyclohexyl}-methylamine (30 mg, 0.111 mmol) in CH2Cl2 (2.0 mL) was mixed with <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (21.1 mg, 0.122 mmol), EDC (23.4 mg, 0.122 mmol), HOBt (1.5 mg, 0.011 mmol) and Et3N (0.109 mL, 0.777 mmol). The solution was stirred for 20 hours and concentrated. The resultant residue was dissolved in DMSO and purification via a reverse phase HPLC then afforded the title compound (67.5 mg, 93%): LCMS (ES) m/z426 (M+H)+; 1H-NMR(CDCl3) delta 1.05 (m, 4H), 1.61 (m, 4H), 1.84 (m, 4H), 2.63 (m, 4H), 3.40 (m, 2H), 5.07 (s, 2H), 7.44 (s, 4H), 8.01 (m, 3H), 8.54 (m, 1H), 9.17 (m, 1H), 9.52 (d, 1H).

Reference： [1]Patent: US2007/185148,2007,A1 .Location in patent: Page/Page column 13

49
[ 7250-53-5 ]
[ 1029491-80-2 ]
[ 1029491-93-7 ]

Reference： [1]European Journal of Medicinal Chemistry,2008,vol. 43,p. 808 - 815

50
[ 7250-53-5 ]
[ 7758-99-8 ]
Cu⁽²⁺⁾*OH^(1-)*C₉H₆N(COO)^(1-)*2H₂O=Cu(OH)(C₉H₆N(COO))*2H₂O [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1937,vol. 4,p. 1220 - 1229
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Cu: MVol.B4, 118, page 1702 - 1704

51
Cu⁽²⁺⁾*(CH₃COO)^(1-)*C₁₀H₆NO₂^(1-)=Cu(C₁₀H₆NO₂)(CH₃COO) [ No CAS ]
[ 7250-53-5 ]
Cu⁽²⁺⁾*C₁₀H₆NO₂^(1-)*OH^(1-)=Cu(OH)(C₁₀H₆NO₂) [ No CAS ]
[ 142-71-2 ]

Reference： [1]Bulletin de la Societe Chimique de France,1937,vol. 4,p. 1220 - 1229
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Cu: MVol.B4, 118, page 1702 - 1704

52
[ 7250-53-5 ]
[ 915138-77-1 ]
[ 915140-49-7 ]

Yield	Reaction Conditions	Operation in experiment
		Introduce successively into a 50 ml round-bottomed flask, 347 mg of <strong>[7250-53-5]5-quinolinecarboxylic acid</strong>, two drops of dimethylformamide and 15 ml of dichloromethane. After cooling to 0 C., add 206 mul of oxalyl chloride and stir for 1 hour at room temperature. Evaporate off the solvent and then add 300 mg of 4-(3H-imidazo[4,5-c]pyridin-2-yl)fluoren-9(R,S)-ol, synthesized as in Example 3, in solution in a mixture of 5 ml of pyridine and 2 ml of dichloromethane. After 5 minutes at ambient temperature, add 1 ml of water, and then the solvent is evaporated off. The pasty reaction medium is poured into 20 ml of saturated aqueous sodium hydrogen carbonate solution. The solid obtained is filtered off and then successively washed with water (2×10 ml) and with diisopropyl ether (2×10 ml). After purification by flash chromatography on silica gel (40-63 mum), eluting with a mixture of dichloromethane and methanol (95-05 by volume), we obtain 120 mg of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9(R,S)-yl of <strong>[7250-53-5]5-quinolinecarboxylic acid</strong>, in the form of an off-white foam with the following characteristics:Mass spectrum (LCMS): m=455 (MH+).1H-NMR spectrum (300 MHz, delta in ppm, DMSO-d6):

Reference： [1]Patent: US2008/153837,2008,A1 .Location in patent: Page/Page column 45

53
[ 7250-53-5 ]
[ 915138-80-6 ]
[ 915138-92-0 ]

Yield	Reaction Conditions	Operation in experiment
78%		In a 50-ml three-necked flask, dissolve 605 mg of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-fluorene-9(R,S)-amine, obtained in Example 6, in 30.17 ml of dimethylformamide, then add successively 530 mg of hydrochloride of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (EDCI), 373 mg of 1-hydroxybenzotriazole (HOBT) and 319 mg of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> then stir for 20 hours at room temperature. Then add 100 ml of water, drain the precipitate that formed, and wash with water then with a saturated solution of sodium hydrogen carbonate. The raw solid obtained is purified by flash chromatography on silica gel (70-230 mesh), eluting with a mixture of dichloromethane and methanol (95-5 by volume). In this way we obtain 650 mg (78%) of [4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9(R,S)-yl]amide of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong>, in the form of a pale yellow powder with the following characteristics:Melting point (Kofler)=254-8 C. (decomposition).Mass spectrum (E/I): m/z=453 (M+)1H-NMR spectrum (400 MHz, delta in ppm, DMSO-d6): 6.44 (d, J=8.5 Hz, 1H); 7.27 (t broad, J=7.5 Hz, 1H); 7.39 (t broad, J=7.5 Hz, 1H); 7.48 (m broad, 1H); 7.57 (t, J=8.0 Hz, 1H); from 7.60 to 7.85 (m, 5H); 7.87 (d broad, J=7.5 Hz, 1H); 7.92 (d broad, J=8.0 Hz, 1H); 8.14 (d broad, J=8.5 Hz, 1H); 8.40 (d broad, J=5.5 Hz, 1H); 8.87 (d broad, J=8.5 Hz, 1H); from 8.93 to 9.10 (m spread-out, 1H); 8.99 (dd, J=2.0 and 4.0 Hz, 1H); 9.39 (d, J=8.5 Hz, 1H); from 13.3 to 13.5 (m spread-out, 1H).

Reference： [1]Patent: US2008/153837,2008,A1 .Location in patent: Page/Page column 26

54
[ 7250-53-5 ]
[ 60-29-7 ]
[ 98421-25-1 ]

Reference： [1]European Journal of Medicinal Chemistry,2009,vol. 44,p. 558 - 567

55
[ 7250-53-5 ]
[ 1192570-15-2 ]
[ 1192560-70-5 ]

Yield	Reaction Conditions	Operation in experiment
		Example B .6Prepaparation of compound (7) Oxalyl dichloride (0.002 mol) was added to a suspension of <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.001 mol) in DCM (10 mL). DMF (small drop) was added, and the mixture stirred for 16 hours. The solvent was removed. The residue was dissolved in DCM (10 mL), and intermediate (9) (0.001 mol) and triethylamine added in rapid succession at 00C. Stirring was continued for 4 hours, allowing the temperature to increase to 200C. HCl (0.001 M, 10 mL) was added, and the phases separated. The organic layer was washed with Na2CO3 (aq) (50% saturated), water and brine. The solvent was removed, and the residue was purified by column chromatograpy over silica gel (DCM/CH3OH 100-97.5%). The pure fractions were collected and the solvent removed. The residue was triturated under DIPE, and then dried at 6O0C in a vacuum oven, yielding 0.26 g of compound (7).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 53

56
[ 7250-53-5 ]
[ 1192569-35-9 ]
[ 1192560-78-3 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;	Example B .7Preparation of compound (15) 1 -Hydroxy- lH-benzotriazole (0.180 g) and lambda/'-(ethylcarbonimidoyl)-N,lambda/-dimethyl-l,3- propanediamine, monohydrochloride (0.120 g) were added to a mixture of intermediate (11) (0.00087 mol) and <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.00087 mol) in DCM (5 ml). The reaction mixture was stirred overnight, was washed with a 10% aqueous NaOH solution and dried with Na2SO4. The solvent was evaporated, yielding 0.12O g of compound (15).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 53

57
[ 7250-53-5 ]
[ 1192569-99-5 ]
C₂₂H₂₀F₅N₅O [ No CAS ]
C₂₂H₂₀F₅N₅O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate; In N,N-dimethyl-formamide; for 16h;	Example B .8Preparation of compound (46)and compound (47) Intermediate (25) (0.0075 mol), <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.0075 mol), l-[bis- (dimethylamino)methylene]-lH-benzotriazoliumhexafluorophosphate(l-) 3-oxide (1 : 1) (0.008 mol), DIPEA (3.3 ml) and DMF (75ml) were stirred during 16 hours in a closed vessel. The reaction mixture was diluted with water (150 ml) and acetonitrile (10 ml) and stirred overnight at room temperature. The precipitate was filtered and dried in vacuum. A part (2.85 g) of the residue (3.383 g, 97%) was purified in its enantiomers by preparative SFC. SFC was carried out on a Chiralpak AD-eta column (30 x 250 mm) (Daicel Chemical Industries Ltd): eluent CO2Z(MeOH containing 0.2 % 2-propylamine) 60/40; flow rate 50 ml/min; column heater temperature 400C; nozzle pressure 100 bar; load: 76 mg / 4 ml. Two Peaks were obtained and collected. The first combined fractions were evaporated and the residue was crystallised from isopropylether/acetonitrile 10/1. The precipitate was filtered off and dried in vacuum, yielding 1.099 g of compound (46). The second combined fractions were evaporated and the residue was crystallised in isopropylether/acetonitrile 10/1. The precipitate was filtered and dried in vacuum, yielding 1.082 g of compound (47).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 54

58
[ 7250-53-5 ]
[ 1192570-33-4 ]
[ 1192560-92-1 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20℃;Inert atmosphere;	Example B .9Preparation of compound (34) IH- 1 ,2,3-triazolo[4,5-b]pyridinium, 1 -[bis(dimethylamino)methylene]- hexafluorophosphate(l-), 3-oxide (0.001422 mol) was added to a mixture of intermediate (26) (0.000948 mol) and <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.001138 mol) and DIPEA (0.001422 mol) in DMF (10 ml), at 00C under nitrogen flow. The reaction <n="57"/>mixture was stirred and gradually warmed to room temperature, overnight. The solvent was evaporated under vacuum. The residue was purified by preparative high- performance liquid chromatography. The product fractions were collected and the solvent was evaporated, yielding 0.18O g of compound (34).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 54-55

59
[ 7250-53-5 ]
[ 1192570-36-7 ]
[ 1192560-93-2 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃; for 18h;	Example B.10Preparation of compound (35) A mixture of intermediate (27) (0.0026 mol), <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.0026 mol), lambda/"-(ethylcarbonimidoyl)-lambda/,lambda/-dimethyl- 1 ,3-propanediamine, monohydrochloride (0.0038 mol), pyridine (0.0077 mol) and DCM (50 ml) was stirred at room temperature for 18 hours. The reaction mixture was poured out in water and K2CO3 (1 g). The organic layer was separated, dried (MgSO4), filtered and evaporated. The residue was purified on a Biotage flash silica column, eluent : DCM/MeOH, gradient 100/0 to 95/5 , the pure fractions were collected and evaporated. The residue was crystalized from DIPE, yielding 0.773 g of compound (35).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 55

60
[ 7250-53-5 ]
[ 1192569-31-5 ]
[ 1192560-64-7 ]

Yield	Reaction Conditions	Operation in experiment
		Example B.IPreparation of compound (1) A mixture of intermediate (2) (0.0032 mol), <strong>[7250-53-5]5-quinolinecarboxylic acid</strong> (0.0064 mol), jV-cyclohexylcarbodiimide, TV-methyl polystyrene (0.013 mol, supplier Novabiochem product number;01-64-0211) and 1 -hydroxybenzotriazole (HOBT) /l-methyl-2- pyrrolidinone (NMP) (0.0032 mol; 400 mg HOBT in 6 ml NMP) in DCM (60 ml) was stirred for 3 hours at room temperature. (Polystyrylmethyl)trimethylammonium bicarbonate (0.032 mol, supplier Novabiochem product number; 01-64-0419) and methylisocyanate polystyrene (0.0036 mol, supplier Novabiochem product number; 01- 64-0169) were added to the reaction mixture and then again stirred for 2 hours at room temperature. The reaction mixture was filtered. The filtrate's solvent was evaporated. The residue was recrystallized from H2O/CH3CN. The precipitate was filtered off and dried (vacuum), yielding 0.630 g of compound (1).

Reference： [1]Patent: WO2009/132000,2009,A1 .Location in patent: Page/Page column 50

61
[ 7250-53-5 ]
[ 1257524-53-0 ]
[ 1257524-01-8 ]

Reference： [1]European Journal of Medicinal Chemistry,2010,vol. 45,p. 4708 - 4719

62
[ 7250-53-5 ]
[ 1257524-54-1 ]
[ 1257524-02-9 ]

Reference： [1]European Journal of Medicinal Chemistry,2010,vol. 45,p. 4708 - 4719

63
[ 7250-53-5 ]
[ 1257524-55-2 ]
[ 1257524-03-0 ]

Reference： [1]European Journal of Medicinal Chemistry,2010,vol. 45,p. 4708 - 4719

64
[ 7250-53-5 ]
[ 1257524-56-3 ]
[ 1257524-04-1 ]

Reference： [1]European Journal of Medicinal Chemistry,2010,vol. 45,p. 4708 - 4719

65
[ 7250-53-5 ]
[ 915138-80-6 ]
[ 915138-91-9 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 7206 - 7219

66
[ 7250-53-5 ]
[ 67025-97-2 ]
[ 1353983-98-8 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 670 - 677

67
[ 7250-53-5 ]
(S)-N₆-(2-((1R,4S)-4-aminocyclohexyl)ethyl)-N₆-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine tri(trifluoroacetate) [ No CAS ]
C₂₈H₃₇N₅OS [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 5612 - 5617

68
[ 7250-53-5 ]
[ 1416800-02-6 ]
[ 1416946-25-2 ]

Yield	Reaction Conditions	Operation in experiment
		Example 179: (S)- l-(Quinolin-5-yl)-3-((4-(trifluoromethyl)phenyl)(3- (trifluoromethyl)pyridin-2-yl)methyl)ureaA mixture of <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (0.054 g, 0.312 mmol), DIPEA (0.054 mL, 0.312 mmol), and DPPA (0.067 mL, 0.312 mmol) in 1,4-dioxane (2 mL) was stirred at rt for lh. (S)-(4-(Trifluoromethyl)phenyl)(3- (trifluoromethyl)pyridin-2-yl)methanamine hydrochloride (Intermediate 1) (0.100 g, 0.312 mmol) was added, and the resulting mixture was heated at 85C for 24 h. The reaction mixture was cooled, concentrated, and purified by ISCO (Silica gel, 0-75% EtOAc/hexanes) to give the title compound. 1H-NMR (300 MHz, MeOH- d4): delta ppm 8.93 (d, J = 4.5 Hz, 1 H), 8.82 (d, J = 3.5 Hz, 1 H), 8.46 (d, J = 8.5 Hz, 1 H), 8.18 (d, J = 8.0 Hz, 1 H), 7.85 (d, J=7.3 Hz, 1 H), 7.75 - 7.83 (m, 1 H), 7.71 (d, J=7.7 Hz, 1 H), 7.54 - 7.68 (m, 5 H), 7.51 (dd, J=8.6, 4.2 Hz, 1 H), 6.67 (s, 1 H). MS (ESI pos. ion) m/z: 491.0 (M+H).

Reference： [1]Patent: WO2012/177896,2012,A1 .Location in patent: Page/Page column 207

69
[ 16675-62-0 ]
[ 7250-53-5 ]

Yield	Reaction Conditions	Operation in experiment
	With water; lithium hydroxide; In tetrahydrofuran; methanol; at 0℃; for 3h;	Synthesis of qui noline-5-carboxylic acid (intermediate-98):To a stirred solution of lntermediate-97 (21g, il2mmol) in a mixture of THE: MeOH (25 mL:200 mL) was added LiCH (i0.75g, 448mmo1) in water (25 mL) at 0 CC . Resulted reactionmixture was stirred at room temperature for 3 hours. After reaction (monitored by TLC), it wasconcentrated and acidified (PH= 5) with iN. HCI. Resited precipitate was filtered and dried togive product lntermediate-98 (1 9g).
19 mg	With water; lithium hydroxide; In tetrahydrofuran; methanol; at 0 - 20℃; for 3h;	Synthesis of quinoline-5-carboxylic acid (intermediate-98) To a stirred solution of Intermediate-97 (21 g, 112 mmol) in a mixture of THF: MeOH (25 mL: 200 mL) was added LiOH (10.75 g, 448 mmol) in water (25 mL) at 0 qC. Resulted reaction mixture was stirred at room temperature for 3 hours. After reaction (monitored by TLC), it was concentrated and acidified (PH=5) with 1N. HCl. Resisted precipitate was filtered and dried to give product Intermediate-98 (19 g).

Reference： [1]Patent: WO2013/128465,2013,A1 .Location in patent: Page/Page column 203
[2]Patent: US2015/158860,2015,A1 .Location in patent: Paragraph 0752

70
[ 99-05-8 ]
[ 7250-53-5 ]

Reference： [1]Patent: WO2013/128465,2013,A1
[2]Patent: US2015/158860,2015,A1

71
[ 7250-53-5 ]
C₁₆H₂₀F₃N₃O₂ [ No CAS ]
C₂₆H₂₅F₃N₄O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 5975 - 5979

72
[ 7250-53-5 ]
[ 5098-14-6 ]
[ 1609377-42-5 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 4035 - 4048

73
[ 7250-53-5 ]
C₉H₉BrN₄S [ No CAS ]
3-(4-bromobenzyl)-6-(quinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ No CAS ]

Reference： [1]Russian Journal of Bioorganic Chemistry,2015,vol. 41,p. 170 - 177

74
[ 7250-53-5 ]
[ 93073-14-4 ]
3-(4-methoxybenzyl)-6-(quinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ No CAS ]

Reference： [1]Russian Journal of Bioorganic Chemistry,2015,vol. 41,p. 170 - 177

75
[ 7250-53-5 ]
[ 554436-95-2 ]
3-(2-fluorobenzyl)-6-(quinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ No CAS ]

Reference： [1]Russian Journal of Bioorganic Chemistry,2015,vol. 41,p. 170 - 177

76
[ 7250-53-5 ]
(2-[5-(trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)amine hydrochloride [ No CAS ]
N-(2-((5-(trifluoromethyl)pyridin-2-yl)sulfonyl)ethyl)quinoline-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
69%		General procedure: To a suspension of the acid(0.25 mmol, 1.00 equiv) and N,N,N0 ,N0-tetramethyl-O-(1H-benzotriazol-1-yl)uronium hexafluorophosphate (HBTU) (0.25 mmol,1.00 equiv) in CH2Cl2 (2.5 mL), under an air atmosphere, at ambienttemperature, was added diisopropylethylamine (0.1 mL,0.58 mmol, 2.34 equiv) and the mixture was stirred for 25 min.2-((5-(Trifluoromethyl)pyridin-2-yl)sulfonyl)ethan-1-aminiumchloride(14) (0.26 mmol, 1.05 equiv) and CH2Cl2 (5 mL) were thenadded and the mixture was stirred for 48 h. The reaction wasquenched with aqueous HCl (1 M, 2 mL), followed by H2O(10 mL) and EtOAc (20 mL). The mixture was transferred to a separatoryfunnel and the flask rinsed with EtOAc (10 mL). The organicphase was separated, washed with saturated aqueous NaHCO3(15 mL) and dried over anhydrous Na2SO4. The solvent was thenremoved under reduced pressure, at or below 40 C, to afford thecrude product. Purification was performed as indicated for eachcompound below 5.3.6.14 N-(2-((5-(Trifluoromethyl)pyridin-2-yl)sulfonyl)ethyl)quinoline-5-carboxamide (44) The title compound was prepared from <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (97%, 0.045 g, 0.25 mmol). The crude product was purified by flash chromatography on silica gel (0:100-2:98/CH3OH:CH2Cl2) affording a colourless solid (0.071 g, 0.17 mmol, 69%). 1H NMR (600 MHz, DMSO-d6) delta 9.18-9.15 (m, 1H), 8.93 (dd, J = 4.1, 1.7 Hz, 1H), 8.70-8.64 (m, 1H), 8.61 (t, J = 4.7 Hz, 1H), 8.56 (dd, J = 8.2, 2.3 Hz, 1H), 8.31 (br d, J = 8.2 Hz, 1H), 8.10 (br d, J = 8.4 Hz, 1H), 7.74 (dd, J = 8.5, 7.1 Hz, 1H), 7.58 (dd, J = 7.2, 0.9 Hz, 1H), 7.57 (dd, J = 4.5, 3.9, 3.9 Hz, 1H), 3.92 (t, J = 6.5 Hz, 2H), 3.76 (q, J = 6.3 Hz, 2H). 13C NMR (151 MHz, DMSO-d6) delta 167.2, 159.9 (q, J = 1.4 Hz), 150.5, 147.4, 147.0 (q, J = 3.9 Hz), 136.8 (q, J = 3.6 Hz), 133.5, 133.5, 131.1, 128.3 (q, J = 33.1 Hz), 127.9, 125.5, 124.9, 122.5 (q, J = 273.3 Hz), 122.1, 121.7, 50.5, 33.3. HRMS (ESI) Calcd for C18H14F3N3NaO3S [M+Na]+: 432.0600; found 432.0600 (0.1 ppm). HPLC (CH3OH:H2O/50:50, 1 mL/min, 254 nm) tr(major) 8.40 min (>99%).

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 247 - 260

77
[ 7250-53-5 ]
methyl 2-(3-(4-aminocyclohexyl)-5-fluoro-2-methyl-1H-indol-1-yl)acetate [ No CAS ]
methyl 2-(5-fluoro-2-methyl-3-(4-(quinoline-5-carboxamido)cyclohexyl)-1H-indol-1-yl)acetate [ No CAS ]

Reference： [1]Patent: WO2016/37591,2016,A1 .Location in patent: Paragraph 00415

78
[ 7250-53-5 ]
methyl 2-(3-(4-aminocyclohexyl)-5-fluoro-2-methyl-1H-indol-1-yl)acetate [ No CAS ]
2-(5-fluoro-2-methyl-3-(4-(quinoline-5-carboxamido)cyclohexyl)-1H-indol-1-yl)acetic acid hydrochloride [ No CAS ]

Reference： [1]Patent: WO2016/37591,2016,A1

79
[ 7250-53-5 ]
2-(5-fluoro-2-methyl-3-(piperazine-1-carbonyl)-1H-Indol-1-yl)acetic acid methyl ester hydrochloride [ No CAS ]
2-(5-fluoro-2-methyl-3-(4-(quinolin-5-carbonyl)piperazine-1-carbonyl)-1H-Indol-1-yl)acetic acid methyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 18h;	Compound 2 - (5-fluoro-2-methyl-3 - (piperazine-1-carbonyl) - 1H-Indol-1-yl) acetic acid methyl ester hydrochloride (155 mg, 0 . 42mmol), <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (87 mg, 0 . 50mmol), 1-ethyl-3 - (3-dimethylamino-propyl) carbodiimide hydrochloride (121 mg, 0 . 63mmol) and N-hydroxy-7-azabenzene and triazazole (143 mg, 1 . 05mmol) dissolved in dichloromethane (12 ml) in, 0 C to this solution under the conditions of adding dropwisely N, N-diisopropyl ethylamine (0.29 ml, 1 . 68mmol), stirring the mixture at room temperature for 18h, by adding water (10 ml × 2), the organic phase is dried with anhydrous sodium sulfate, removal of solvent, concentrate under column separation (V (dichloromethane)/ V =30/1 (methanol)), to obtain 124 mg white solid, yield: 60%.

Reference： [1]Patent: CN105461693,2016,A .Location in patent: Paragraph 0280; 0281; 0282

80
[ 7250-53-5 ]
2-(3-(4-amino-piperidine-1-carbonyl)-5-fluoro-2-methyl-1H-Indol-1-yl)acetic acid methyl ester hydrochloride [ No CAS ]
2-(5-fluoro-2-methyl-3-(4-(quinolin-5-carboxamido)piperidine-1-carbonyl)-1H-Indol-1-yl)acetic acid methyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 10h;	The compounds of the compound 2 - (3 - (4-amino-piperidine-1-carbonyl) - 5-fluoro-2-methyl -1H-Indol-1-yl) acetic acid methyl ester hydrochloride (200 mg, 0 . 52mmol), compound 5-carboxylic acid quinoline (108 mg, 0 . 63mmol), 1-ethyl-3 - (3-dimethylamino-propyl) carbodiimide hydrochloride (200 mg, 1 . 05mmol) and N-hydroxy-7-azabenzene and triazazole (106 mg, 0 . 78mmol) dissolved in dichloromethane (10 ml) in, 0 C to this solution under the conditions of adding dropwisely N, N-diisopropyl ethylamine (0.4 ml, 2 . 09mmol), stirring the mixture at room temperature for 10h, and washing with water (10 ml × 3), the organic phase is dried with anhydrous sodium sulfate, removal of solvent, concentrate under column separation (V (petroleum ether)/ V (ethyl acetate) =1/1) to obtain 210 mg pale yellow solid, yield: 80%.

Reference： [1]Patent: CN105461693,2016,A .Location in patent: Paragraph 0381; 0382; 0383; 0384; 0385

81
[ 7250-53-5 ]
3-chloro-2-fluorobenzoic acid hydrazide [ No CAS ]
5-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With trichlorophosphate; for 4h;Reflux;	General procedure: The mixture of acid hydrazide (2) (0.01 mol), aromatic acid (0.01 mol) and phosphorous oxychloride (0.25 mol) were refluxed for 4 h. The reaction mass was quenched to pre-cooled ice-water below 15C. The mass was neutralized by dilute sodium hydroxide solution below 15C, while the product precipitated out. The solid separated out was filtered, washed with water and recrystallized from ethanol to get the pure product (3a-j).

Reference： [1]Research on Chemical Intermediates,2016,vol. 42,p. 7771 - 7792

82
[ 7250-53-5 ]
copper(II) bis(tetrafluoroborate) [ No CAS ]
Cu⁽²⁺⁾*2C₁₀H₆NO₂^(1-) [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10268 - 10272
Angew. Chem.,2016,vol. 128,p. 10424 - 10428,5

83
[ 7250-53-5 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
Co⁽²⁺⁾*2NC₉H₆CO₂^(1-)={Co(NC₉H₆CO₂)2} [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10268 - 10272
Angew. Chem.,2016,vol. 128,p. 10424 - 10428,5

84
[ 7250-53-5 ]
nickel(II) nitrate hexahydrate [ No CAS ]
{Ni(5-C₁₀H₆NO₂)2} [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10268 - 10272
Angew. Chem.,2016,vol. 128,p. 10424 - 10428,5

85
[ 7250-53-5 ]
zinc(II) nitrate hexahydrate [ No CAS ]
Zn⁽²⁺⁾*2C₁₀H₆NO₂^(1-) [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10268 - 10272
Angew. Chem.,2016,vol. 128,p. 10424 - 10428,5

86
[ 7250-53-5 ]
copper(II) nitrate hydrate [ No CAS ]
Cu(quinoline-5-carboxylate)2 [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10268 - 10272
Angew. Chem.,2016,vol. 128,p. 10424 - 10428,5

87
[ 7250-53-5 ]
copper(II) tetrafluroborate hexahydrate [ No CAS ]
Cu(quinoline-5-carboxylate)2 [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 12940 - 12946

88
[ 7250-53-5 ]
C₉H₁₅NO [ No CAS ]
C₁₉H₂₀N₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68.7 mg	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20℃;	The compound 88 obtained as a crude product in Step 6 was dissolved in DMF (1 mL). To the solution were added EDC hydrochloride (89 mg, 0.467 mmol), HOBt (21 mg, 0.156 mmol), <strong>[7250-53-5]quinoline-5-carboxylic acid</strong> (64.6 mg, 0.373 mmol) and triethylamine (0.065 mL, 0.467 mmol). The mixture was stirred at room temperature for 30 minutes and then left standing overnight. To the reaction mixture was added saturated aqueous solution of sodium hydrogen carbonate. The mixture was extracted with ethyl acetate. The organic layer was washed by saturated aqueous solution of sodium hydrogen carbonate and water, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure. The obtained residue was purified by silica-gel column chromatography (hexane-ethyl acetate) to give a compound 89 (68.7 mg, yield 72%, mixture of cis-trans of vinyl ether).1H-NMR (CDCl3) delta: 1.24-1.33 (m, 2.8H), 1.63-1.76 (m, 1.2H), 2.44-2.52 (m, 2H), 3.49 (s, 1.8H), 3.63 (s, 1.2H), 3.83 (dd, J=9.5, 6.2 Hz, 0.4H), 4.23-4.43 (m, 1.6H), 5.86-5.90 (m, 1.4H), 6.35 (d, J=12.7 Hz, 0.6H), 7.47 (dd, J=8.6, 4.2 Hz, 1H), 7.61-7.69 (m, 2H), 8.17 (d, J=8.3 Hz, 1H), 8.70 (d, J=8.5 Hz, 1H), 8.95 (d, J=3.4 Hz, 1H).

Reference： [1]Patent: US2019/161501,2019,A1 .Location in patent: Paragraph 0940; 0949; 0950

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[ CAS No. 7250-53-5 ] {[proInfo.proName]}

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[ 7250-53-5 ] Synthesis Path-Upstream 1~4

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