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CAS Number: 56824-87-4
ethyl 4-chloro-6-methylquinoline-3-carboxylate

Structure

ethyl 4-chloro-6-methylquinoline-3-carboxylate
Name: ethyl 4-chloro-6-methylquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 56824874
CAS Registry Number: 56824-87-4
Name:
3-​Quinolinecarboxylic acid, 4-​chloro-​6-​methyl-​, ethyl ester
4-​Chloro-​6-​methyl-​quinoline-​3-​carboxylic acid ethyl ester 
 
Chemical Formula: C13H12ClNO2
Exact Mass: 249.06
Molecular Weight: 249.69
m/z: 249.06 (100.0%), 251.05 (32.0%), 250.06 (14.3%), 252.06 (4.6%), 251.06 (1.4%)
Elemental Analysis: C, 62.53; H, 4.84; Cl, 14.20; N, 5.61; O, 12.82
 
InChI: InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-5-4-8(2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey: GSIDXMVQPNWNIR-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)C
 
Thermal Properties Value Condition Note
Melting Point 64-65.5 °C   (1)IC
Melting Point 62-63 °C   (2)CAS

Specification

98%

References
  1. (1) Takada, Susumu; Journal of Medicinal Chemistry 1988, V31(9), P1738-45 CAPLUS
  2. (2) Mao, Dan; Chemistry & Biodiversity 2009, V6(10), P1727-1736 CAPLUS
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