Methyl 4,5-Dibromo-2-furoate - CAS 54113-41-6

Name: Methyl 4,5-Dibromo-2-furoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028503
Product Name:	Methyl 4,5-Dibromo-2-furoate
CAS:	54113-41-6
Synonyms:	4,5-dibromo-2-furancarboxylic acid methyl ester; methyl 4,5-dibromofuran-2-carboxylate

Technical Data

IUPAC Name:	methyl 4,5-dibromofuran-2-carboxylate
Description:	Methyl 4,5-Dibromo-2-furoate (CAS# 54113-41-6) is an intermediate in the synthesis of 4-Amino-2-furancarboxylic Acid (A609680), which is the characteristic structural element of the Proximicins. Proximicin A, B and C, are novel aminofuran antibiotic and anticancer compounds isolated from marine strains of the actinomycete Verrucosispora.
Molecular Weight:	283.90
Molecular Formula:	C6H4Br2O3
Canonical SMILES:	COC(=O)C1=CC(=C(O1)Br)Br
InChI:	InChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChI Key:	OIOPUTCGINQNRL-UHFFFAOYSA-N
Boiling Point:	278.7 °C at 760 mmHg
Density:	1.992 g/cm³
Appearance:	Solid
MDL:	MFCD00092493
LogP:	2.59120

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3026054-A1	Hetero-condensed ring compound	20130723
EP-3026054-B1	Hetero-condensed ring compound	20130723
JP-6453216-B2	Heterofused ring compounds	20130723
JP-WO2015012210-A1	Heterofused ring compounds	20130723
US-2016168176-A1	Hetero-fused cyclic compound	20130723

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.85067
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.85272
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9