Theoretical Studies of Kineti cs and Mechanistic investigation of the Rea ction Between Trip henylphosphine, Dimethyl a cetylenedicarboxyla tes and ۳-chloroacetylacetone

Phosphorus ylides are reacti ve systems, which take part in many valuable reactions of the organi c synthesis[۱]. These are most ofte n prepared by treatment of a phosphonium salt with a base. Most of the phosphonium salts are usually made from the p hosphine a nd an alkyl halide and th ey are also obtained b y the Micha el addition of phosphorus nucleophiles to activated olefins[۲].Experim ental methods have many instr umental limitations such as trapping the interm ediates or transition states in confirming the m echanism th at reactions proceed fr om it. Computational methods can make confirming the mechanism easer, chea per and exacter. Herei n, we now describe a th eoretical study of kineti c and mechanism of the reaction bet ween triphenylphosphine and d ialkyl acetylendicarboxylate i n the pr esence of ۳-chloro acetylaceto ne.

کلیدواژه ها:

Theoretical Study ، Phosphorus ylides ، Mechanism ، Kinetics ، activation parameters