Methyl 4-bromofuran-2-carboxylate - CAS 58235-80-6

Name: Methyl 4-bromofuran-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029977
Product Name:	Methyl 4-bromofuran-2-carboxylate
CAS:	58235-80-6
Synonyms:	4-bromo-2-furancarboxylic acid methyl ester; methyl 4-bromofuran-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-bromofuran-2-carboxylate
Description:	Methyl 4-bromofuran-2-carboxylate (CAS# 58235-80-6) is used to prepare pyrimidinamines and pyridinamines as adenosine receptor modulators for treatment of CNS disorders.
Molecular Weight:	205.01
Molecular Formula:	C6H5BrO3
Canonical SMILES:	COC(=O)C1=CC(=CO1)Br
InChI:	InChI=1S/C6H5BrO3/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3
InChI Key:	RKEXKLRKXLRNMV-UHFFFAOYSA-N
Boiling Point:	228.057 °C at 760 mmHg
Density:	1.623 g/cm³
MDL:	MFCD00092559
LogP:	1.82870

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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

Publication Number	Title	Priority Date
WO-2021170464-A1	Herbicidal malonamides	20200228
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2020261114-A1	2,3-dihydroquinazolin compounds as nav1.8 inhibitors	20190627
AU-2018291688-A1	Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections	20170627

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.94221
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.94221
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9