2-Bromo-1-cyclopropylethanone - CAS 69267-75-0
Catalog: |
BB033758 |
Product Name: |
2-Bromo-1-cyclopropylethanone |
CAS: |
69267-75-0 |
Synonyms: |
2-bromo-1-cyclopropylethanone; 2-bromo-1-cyclopropylethanone |
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 |
WO-2021158626-A1 | Adamts inhibitors, preparation methods and medicinal uses thereof | 20200204 |
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 |
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