4-Chloro-7-methoxy- quinoline-6-carboxylic acid m
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4-Chloro-7-methoxy- quinoline-6-carboxylic acid m
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CAS No:
205448-66-4
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Formula:
C12H10ClNO3
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Chemical Name:
4-Chloro-7-methoxy- quinoline-6-carboxylic acid m
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Synonyms:
METHYL 4-CHLORO-7-METHOXYQUINOLINE-6-CARBOXYLATE;6-Quinolinecarboxylic acid, 4-chloro-7-methoxy-, methyl ester;4-Chloro-7-methoxyquinoline-6-carboxylic acid methyl ester;SCHEMBL1132184;DTXSID60627292;BCP14205;MFCD17016133;ZINC72193720;AKOS015949991;DS-5315
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CAS No:
4-Chloro-7-methoxy- quinoline-6-carboxylic acid m Basic Attributes
251.67
251.034927
DTXSID60627292
2933499090
4-Chloro-7-methoxy- quinoline-6-carboxylic acid m Use and Manufacturing
Compound 1B (3.00 g, 12.86 mmol) was added to thionyl chloride (30.00 mL). N, N-Dimethylformamide (93.99mg, 1.29 mmol) was then added to the reaction system. The reaction solution was protected by nitrogen and then heatedup to an outer temperature of 90 °C and reacted under refluxing for 1 hour. The completion of the reaction was detectedby TLC. The aqueous phase was combined and concentrated to dryness. The residue was dissolved in ice water (50ml) and extracted with ethyl acetate (20 ml * 2). The aqueous phase was extracted with dichloromethane (30 ml * 5).The dichloromethane phase was washed with NaCl solution (20 ml * 2) and dried over sodium sulfate, and then pumpdriedby a water pump to give compound 37A (2.60 g, 9.81 mmol, the yield was 76.32percent, and the purity was 95percent) as agray solid.1H NMR (400 MHz, DMSO-d6) ppm 3.87 (s, 3 H) 3.98 (s, 3 H) 7.60 (s, 1 H) 7.66 (d, J=4.77 Hz, 1 H) 8.41 (s, 1 H) 8.83(d, J=4.77 Hz, 1 H)A mixture of 7-methoxy-6-methoxycarbonyl-1, 4-dihydroquinolin-4-one (5.4 g, 23 mmol), DMF (0.4 ml) and thionyl chloride (75 ml) was heated at reflux for 2 hours and then stirred at ambient temperature for a further 2 hours..
Computed Properties
Molecular Weight:251.66
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:251.0349209
Monoisotopic Mass:251.0349209
Topological Polar Surface Area:48.4
Heavy Atom Count:17
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-7-methoxy- quinoline-6-carboxylic acid m
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