Skip to Content
Merck
All Photos(1)

Documents

559067

Sigma-Aldrich

Ethyl (4-methylbenzoyl)acetate

Synonym(s):

Ethyl 3-(4-methylphenyl)-3-oxopropanoate, Ethyl 3-oxo-3-(4-tolyl)propionate, NSC 158544

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3C6H4COCH2CO2CH2CH3
CAS Number:
27835-00-3
Molecular Weight:
206.24
MDL number:
MFCD03424815
UNSPSC Code:
12352100
PubChem Substance ID:
24879791
NACRES:
NA.22

refractive index

n20/D 1.5315 (lit.)

Quality Level

100

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

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

Storage Class Code

10 - Combustible liquids

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service