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559067

Sigma-Aldrich

Ethyl (4-methylbenzoyl)acetate

Synonym(s):
NSC 158544, Ethyl 3-oxo-3-(4-tolyl)propionate, Ethyl 3-(4-methylphenyl)-3-oxopropanoate
Linear Formula:
CH3C6H4COCH2CO2CH2CH3
CAS Number:
Molecular Weight:
206.24
MDL number:
PubChem Substance ID:
NACRES:
NA.22

refractive index

n20/D 1.5315 (lit.)

Quality Level

bp

244-245 °C (lit.)

density

1.056 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)CC(=O)c1ccc(C)cc1

InChI

1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

InChI key

GEQMJBPKCOZHMV-UHFFFAOYSA-N

Related Categories

Application

Ethyl (4-methylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-methyl)phenylquinoxaline 1,4-dioxide.
Reactant involved in:
  • Oxidative cross-coupling with indoles
  • Electrophilic / nucleophilic halogenation
  • Cyclization with alkynyl ketones
  • Lewis base catalyzed hydrosilylation
  • Stereoselective reduction
  • Intramolecular Michael addition reactions

Packaging

1, 5 g in glass bottle

Storage Class Code

12 - Non Combustible Liquids

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Comparative Use of Solvent-free KF-Al2O3 and K2CO3 in Acetone in the Synthesis of Quinoxaline 1, 4-Dioxide Derivatives Designed as Antimalarial Drug Candidates.
Lima LM, et al.
Journal of Heterocyclic Chemistry, 42(7), 1381-1385 (2005)

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