2-Bromo-1-cyclopropylethanone - CAS 69267-75-0

Name: 2-Bromo-1-cyclopropylethanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033758
Product Name:	2-Bromo-1-cyclopropylethanone
CAS:	69267-75-0
Synonyms:	2-bromo-1-cyclopropylethanone; 2-bromo-1-cyclopropylethanone

Technical Data

IUPAC Name:	2-bromo-1-cyclopropylethanone
Description:	2-Bromo-1-cyclopropylethanone (CAS# 69267-75-0) is an intermediate used to prepare pyrrolo[2,1-f]purine-2,4-dione and imidazo[2,1-f]purine-2,4-dione derivatives as potent and selective human A3 adenosine receptor antagonists. It is also used to synthesize indolizine derivatives incorporating a cyclopropylcarbonyl group against Hep-G2 cancer cell line.
Molecular Weight:	163.01
Molecular Formula:	C5H7BrO
Canonical SMILES:	C1CC1C(=O)CBr
InChI:	InChI=1S/C5H7BrO/c6-3-5(7)4-1-2-4/h4H,1-3H2
InChI Key:	WCCCDMWRBVVYCQ-UHFFFAOYSA-N
Boiling Point:	191.592 °C at 760 mmHg
Density:	1.669 g/cm³
MDL:	MFCD08460238
LogP:	1.36040

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
CN-113493469-A	Compound capable of being used as immunomodulator, preparation method and application thereof	20200318
WO-2021158936-A1	Pyrrolo [2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss	20200205
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ES-2837446-A1	MANUFACTURING PROCEDURES FOR BROMOMETHYL CYCLOPROPYLKETONE, CYCLOPROPYLCARBONYL METHYLTRIPHENYLPHOSPHONIUM, CYCLOPROPYLCARBONYL METHYLENETHRIPHENYLPHOSPHORANE, VITAMIN D DERIVATIVES AND CALCIPOTRIOL	20191231

Complexity:	86.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.96803
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.96803
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2