590444
Methyl (4-chlorobenzoyl)acetate
Synonym(s):
(p-Chlorobenzoyl)acetic acid methyl ester, Methyl 3-(4-chlorophenyl)-3-oxopropionate
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About This Item
Empirical Formula (Hill Notation):
C10H9ClO3
CAS Number:
Molecular Weight:
212.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Form:
solid
InChI
1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
SMILES string
COC(=O)CC(=O)c1ccc(Cl)cc1
InChI key
OIPOJEDRCKVDJK-UHFFFAOYSA-N
form
solid
mp
42-46 °C (lit.)
Application
Reactant involved in:
- Oxidative coupling with aminopyridines
- Enantioselective hydrogenation of unprotected β-enamine esters
- Intramolecular cyclization
- Oxidative alkylation of benzylic C-H bonds
- Tandem oxidative coupling and annulation of phenols
signalword
Warning
hcodes
pcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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