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559210

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
NACRES:
NA.22
PubChem Substance ID:
24879805
UNSPSC Code:
12352100
MDL number:
MFCD00018713
Form:
solid
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form

solid

Quality Segment

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

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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