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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

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About This Item

Linear Formula:
ClC6H4COCH2CO2C2H5
CAS Number:
2881-63-2
Molecular Weight:
226.66
MDL number:
MFCD00018713
UNSPSC Code:
12352100
PubChem Substance ID:
24879805
NACRES:
NA.22

form

solid

Quality Level

100

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

Related Categories

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

559210-5G:
559210-VAR:
559210-1G:
559210-BULK:

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’.

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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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