All Photos(1)
Synonym(s):
3-Chloro-ß-oxobenzenepropanoic acid ethyl ester, Ethyl 3-(3-chlorophenyl)-3-oxopropanoate
Linear Formula:
ClC6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
226.66
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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