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4-Chloro-8-methyl-quinoline-3-carboxylic acid ethyl ester

4-Chloro-8-methyl-quinoline-3-carboxylic acid ethyl ester - CAS 37041-32-0

Catalog:	BB023175
Product Name:	4-Chloro-8-methyl-quinoline-3-carboxylic acid ethyl ester
CAS:	37041-32-0
Synonyms:	ethyl 4-chloro-8-methylquinoline-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-chloro-8-methylquinoline-3-carboxylate
Description:	4-Chloro-8-methyl-quinoline-3-carboxylic acid ethyl ester (CAS# 37041-32-0) is a useful research chemical.
Molecular Weight:	249.69
Molecular Formula:	C13H12ClNO2
Canonical SMILES:	CCOC(=O)C1=CN=C2C(=CC=CC2=C1Cl)C
InChI:	InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-12-8(2)5-4-6-9(12)11(10)14/h4-7H,3H2,1-2H3
InChI Key:	PGGVUZUNDXCMSS-UHFFFAOYSA-N
Boiling Point:	346.4 °C at 760 mmHg
Density:	1.252 g/cm³
Appearance:	Orange powder
MDL:	MFCD00173399
LogP:	3.37330

Publication Number	Title	Priority Date
EP-3245191-A1	Quinolines and process for the preparation thereof	20150115
US-10144712-B2	Quinolines and process for the preparation thereof	20150115
US-2018009759-A1	Quinolines and Process for the Preparation Thereof	20150115
WO-2016113759-A1	Quinolines and process for the preparation thereof	20150115
EP-3245191-B1	Quinolines and process for the preparation thereof	20150115

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Related Functional Groups

Quinoline/Isoquinoline

[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[1394843-51-6]
3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one
[50741-46-3]
Ethyl 3-quinolinecarboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.0556563
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4