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559210

Ethyl (4-chlorobenzoyl)acetate

Name: Ethyl (4-chlorobenzoyl)acetate
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24879805

UNSPSC Code:

12352100

MDL number:

MFCD00018713

Form:

solid

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Properties

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.)

functional group

chloro, ester, ketone

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

Description

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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)

Global Trade Item Number

SKU	GTIN
559210-1G	04061825586229
559210-5G	04061831821437