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Merck
CN

559083

Ethyl (2-bromobenzoyl)acetate

≥95%

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About This Item

Linear Formula:
BrC6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
271.11
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
≥95%
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InChI

1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3

SMILES string

CCOC(=O)CC(=O)c1ccccc1Br

InChI key

IFSMFGOJDWUHEW-UHFFFAOYSA-N

assay

≥95%

refractive index

n20/D 1.5545 (lit.)

density

1.417 g/mL at 25 °C (lit.)

functional group

bromo, ester, ketone

General description

Ethyl (2-bromobenzoyl)acetate [Ethyl 3-(2-bromophenyl)-3-oxopropanoate] can be synthesized from the condensation reaction between an aldehyde and ethyl diacetate in the presence of zeolite Hβ (catalyst).

Application

Reactant for preparation of:
  • Cambinol analogs as sirtuin inhibitors with antitumor action
  • Quinolones and indoles by cyclodehydration
  • N-allyl/propargyl enamine carboxylates

Storage Class

12 - Non Combustible Liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Regulatory Information

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Simple and high yielding syntheses of ?-ketoesters catalyzed by zeolites.
Balaji BS and Chanda BM.
Tetrahedron, 54, 13237-13252 (1998)

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