559288
Ethyl (3-chlorobenzoyl)acetate
≥97%
Synonym(s):
Ethyl 3-(3-chlorophenyl)-3-oxopropanoate, 3-Chloro-β-oxobenzenepropanoic acid ethyl ester
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About This Item
Linear Formula:
ClC6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
226.66
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
≥97%
assay
≥97%
refractive index
n20/D 1.5460 (lit.)
bp
257-258 °C (lit.)
density
1.213 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)CC(=O)c1cccc(Cl)c1
InChI
1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChI key
WWFYJJHEBDWEJF-UHFFFAOYSA-N
Application
Reagent / reactant involved in:
- Oxidative cross-coupling via dioxygen activation with indoles
- Chlorination and hydrosilylation for synthesis of α-hydroxy β-amino acid derivatives
- Precursor for substrates for chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
- Intramolecular cyclization for synthesis of dihydrofurans
- Rate acceleration of Michael reactions
- Cerium ammonium nitrate-mediated oxidative coupling
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 559288-1G | 04061825586274 |
| 559288-5G | 04061831821475 |