20005-91-8

Basic information

• Product Name: Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxo-3-phenylpropyl)-, ethyl ester
• CAS NO: 20005-91-8
• Molecular Formula: C18H22O4
• Molecular Weight: 302.37
• Mol File: 20005-91-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxo-3-phenylpropyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxo-3-phenylpropyl)-, ethyl ester(20005-91-8)
• EPA Substance Registry System: Cyclohexanecarboxylic acid, 2-oxo-1-(3-oxo-3-phenylpropyl)-, ethyl ester(20005-91-8)

Safety Data

• Hazardous Substances Data: 20005-91-8(Hazardous Substances Data)

Upstream product

• 93-55-0 1-phenyl-propan-1-one 
• 1655-07-8 ethyl 2-oxocyclohexane carboxylate 
• 3506-36-3 3-dimethylaminopropiophenone 
• 768-03-6 Phenyl vinyl ketone 

Relevant articles and documents

Cu-catalyzed sequential dehydrogenation-conjugate addition for β-functionalization of saturated ketones: Scope and mechanism

The first copper-catalyzed direct β-functionalization of saturated ketones is reported. This protocol enables diverse ketones to couple with a wide range of nitrogen, oxygen and carbon nucleophiles in generally good yields under operationally simple conditions. The detailed mechanistic studies including kinetic studies, KIE measurements, identification of reaction intermediates, EPR and UV-visible experiments were conducted, which reveal that this reaction proceeds via a novel radical-based dehydrogenation to enone and subsequent conjugate addition sequence.