Ethyl 5-Chloroindole-2-carboxylate - CAS 4792-67-0

Name: Ethyl 5-Chloroindole-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026431
Product Name:	Ethyl 5-Chloroindole-2-carboxylate
CAS:	4792-67-0
Synonyms:	5-chloro-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-chloro-1H-indole-2-carboxylate

Technical Data

IUPAC Name:	ethyl 5-chloro-1H-indole-2-carboxylate
Description:	Ethyl 5-Chloroindole-2-carboxylate (CAS# 4792-67-0) is a used in the synthetic preparation of a potent anticonvulsant Ethyl 4-methylamino-5,7-dichloro-2-quinolinecarboxylate.
Molecular Weight:	223.66
Molecular Formula:	C11H10ClNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Cl
InChI:	InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:	LWKIFKYHCJAIAB-UHFFFAOYSA-N
Boiling Point:	375 °C at 760 mmHg
Density:	1.329 g/cm³
MDL:	MFCD00005610
LogP:	2.99800

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112898193-A	Indole aryl sulfone derivative and preparation method and application thereof	20210123
WO-2021083998-A1	Synthesis of 3-({5-chloro-1-[3-(methylsulfonyl)propyl]-1h-indol-2 yl} methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one	20191030
WO-2020173935-A1	New isoindolinone substituted indoles and derivatives as ras inhibitors	20190226
CN-113474340-A	Novel isoindolinone substituted indoles and derivatives as RAS inhibitors	20190226
WO-2019199979-A1	Antibacterial compounds	20180410

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0400063
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8