Ethyl 4-bromopyrrole-2-carboxylate - CAS 433267-55-1

Catalog:	BB025383
Product Name:	Ethyl 4-bromopyrrole-2-carboxylate
CAS:	433267-55-1
Synonyms:	ethyl 4-bromo-1H-pyrrole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-bromo-1H-pyrrole-2-carboxylate
Description:	Ethyl 4-bromopyrrole-2-carboxylate (CAS# 433267-55-1) is a useful research chemical.
Molecular Weight:	218.05
Molecular Formula:	C7H8BrNO2
Canonical SMILES:	CCOC(=O)C1=CC(=CN1)Br
InChI:	InChI=1S/C7H8BrNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h3-4,9H,2H2,1H3
InChI Key:	ZNKYCJKUHXQUJQ-UHFFFAOYSA-N
Boiling Point:	301.7 °C at 760 mmHg
Density:	1.576 g/cm³
MDL:	MFCD06205071
LogP:	1.95390

Publication Number	Title	Priority Date
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
US-2020339555-A1	Therapeutic compounds and methods of use thereof	20190425
KR-102274077-B1	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
KR-20200115934-A	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
CA-3042693-A1	Pyrrole amides as .alpha.v integrin inhibitors	20161108

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Pyrroles

[1551432-13-3]
3,6-Bis(2,4-dimethyl-1-pyrrolyl)-1,2,4,5-tetrazine
[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[2973-17-3]
N-Allylmaleimide

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

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.97384
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.97384
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2