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4-Chloro-7-methoxy- quinoline-6-carboxylic acid m

4-Chloro-7-methoxy- quinoline-6-carboxylic acid m structure

CAS No:
205448-66-4
Formula:
C12H10ClNO3
Chemical Name:
4-Chloro-7-methoxy- quinoline-6-carboxylic acid m
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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Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Chloro-7-methoxy- quinoline-6-carboxylic acid m Basic Attributes

Molecular Weight：

251.67

Exact Mass：

251.034927

DSSTox ID：

DTXSID60627292

HScode：

2933499090

Characteristics

PSA：

48.4

XLogP3：

2.6

Density：

1.3±0.1 g/cm3

Boiling Point：

377.4±37.0°C at 760 mmHg

Flash Point：

182.1±26.5 °C

Refractive Index：

1.604

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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Guide of 4-Chloro-7-methoxy- quinoline-6-carboxylic acid m

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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