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559261 Sigma-Aldrich

Ethyl (3-bromobenzoyl)acetate

95%

Synonym: 3-Bromo-ß-oxo-benzenepropanoic acid ethyl ester, Ethyl 3-(3-bromophenyl)-3-oxopropanoate

  • CAS Number 21575-91-7

  • Linear Formula BrC6H4COCH2CO2C2H5

  • Molecular Weight 271.11

  •  MDL number MFCD03424812

  •  PubChem Substance ID 24879810

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   95%
refractive index   n20/D 1.565 (lit.)
bp   255-256 °C (lit.)
density   1.416 g/mL at 25 °C (lit.)
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

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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