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590444

Sigma-Aldrich

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:
22027-53-8
Molecular Weight:
212.63
MDL number:
MFCD00216520
UNSPSC Code:
12352100
PubChem Substance ID:
24881280
NACRES:
NA.22

form

solid

mp

42-46 °C (lit.)

SMILES string

COC(=O)CC(=O)c1ccc(Cl)cc1

InChI

1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3

InChI key

OIPOJEDRCKVDJK-UHFFFAOYSA-N

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Precautionary Statements

P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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