559261
Ethyl (3-bromobenzoyl)acetate
95%
Synonym(s):
3-Bromo-ß-oxo-benzenepropanoic acid ethyl ester, Ethyl 3-(3-bromophenyl)-3-oxopropanoate
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About This Item
Linear Formula:
BrC6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
271.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
Ethyl (3-bromobenzoyl)acetate, 95%
InChI
1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
SMILES string
CCOC(=O)CC(=O)c1cccc(Br)c1
InChI key
JSVMCOQPWKQNGU-UHFFFAOYSA-N
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
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
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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