559210

Ethyl (4-chlorobenzoyl)acetate

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

Properties

• form: solid
• 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.[1]

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

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)