99706-13-5

Basic information

• Product Name: Acetic acid (E)-4-(2-oxo-cyclohexyl)-but-2-enyl ester
• Synonyms: Acetic acid (E)-4-(2-oxo-cyclohexyl)-but-2-enyl ester
• CAS NO: 99706-13-5
• Molecular Weight: 210.273
• Mol File: 99706-13-5.mol

Chemical Properties

• CAS DataBase Reference: Acetic acid (E)-4-(2-oxo-cyclohexyl)-but-2-enyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid (E)-4-(2-oxo-cyclohexyl)-but-2-enyl ester(99706-13-5)
• EPA Substance Registry System: Acetic acid (E)-4-(2-oxo-cyclohexyl)-but-2-enyl ester(99706-13-5)

Safety Data

• Hazardous Substances Data: 99706-13-5(Hazardous Substances Data)

Upstream product

• 25260-60-0 cis-1,4-bis(acetyloxy)but-2-ene 
• 18709-01-8 cyclohexanone-2-carboxylic acid 

Relevant articles and documents

Palladium-Catalyzed Decarboxylative Allylic Alkylation of Allylic Acetates with β-Keto Acids

In the presence of a catalytic amount of tetrakis(triphenylphosphine)palladium, β-keto acids react with allylic acetates at ambient temperature to produce α-allylic ketones in good yields with quantitative decarboxylation.This palladium-catalyzed decarboxylative allylic alkylation of allylic acetates with β-keto acids is characterized by high regio- and stereoselectivity.Allylation of β-keto acid takes place at the carbon atom bearing a carboxyl group.Allylic alkylation of allylic acetate with β-keto acid occurs at the less substituted end of the allyl group.The resultant carbon-carbon double bond of the α-allylic ketone has the E configuration.Allylic alkylation of lactone 25 with benzoylacetic acid proceeds preferably with retention of configuration, indicative of trans attack of the enolate on the (?-allyl)palladium intermediate from the opposite side of palladium even in the coexistence of free carboxylic acids.