559261

Ethyl (3-bromobenzoyl)acetate

95%

• Synonym(s): 3-Bromo-ß-oxo-benzenepropanoic acid ethyl ester, Ethyl 3-(3-bromophenyl)-3-oxopropanoate
• Linear Formula: BrC₆H₄COCH₂CO₂C₂H₅
• CAS Number: 21575-91-7
• Molecular Weight: 271.11
• MDL number: MFCD03424812
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879810
• NACRES: NA.22

Properties

• assay: 95%
• refractive index: n20/D 1.565 (lit.)
• bp: 255-256 °C (lit.)
• density: 1.416 g/mL at 25 °C (lit.)
• functional group: bromo; ester; ketone
• SMILES string: CCOC(=O)CC(=O)c1cccc(Br)c1
• InChI: 1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
• InChI key: JSVMCOQPWKQNGU-UHFFFAOYSA-N

Description

Application

Reactant involved in synthesis of:

• Aroylbenzoxepinones for analgesic activity
• (Heteroaryl)(carboxamido)arylpyrrole derivatives with Cdc7 kinase inhibitory activity
• Cambinol analogs for sirtuin inhibition and antitumor activity
• TunePhos-type diphosphine ligands via asymmetric hydrogenation

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves