Skip to Content
Merck
All Photos(1)

Key Documents

559210

Sigma-Aldrich

Ethyl (4-chlorobenzoyl)acetate

Synonym(s):

3-(4-Chlorophenyl)-3-oxopropanoic acid ethyl ester, Ethyl 3-(4-chlorophenyl)-3-oxopropanoate, NSC 406743

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
ClC6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
226.66
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

form

solid

refractive index

n20/D 1.5500 (lit.)

bp

268-269 °C (lit.)

density

1.218 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3

InChI key

DGCZHKABHPDNCC-UHFFFAOYSA-N

Application

Ethyl (4-chlorobenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-chloro)phenylquinoxaline 1,4-dioxide.
Reactant involved in:
  • Tandem condensation-cyclization reactions
  • Stereoselective ketonization-olefination of indoles
  • Synthesis of antiplasmodial agents
  • SIRT 1/2 inhibitor preparation for use as antitumor agents
  • Synthesis of mineralocorticoid receptor antagonists
  • Intramolecular Michael addition reactions

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)

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