Synthesis of Allenes by Hydroalkylation of 1,3-Enynes with Ketones Enabled by Cooperative Catalysis.

Maxwell EatonYuping DaiZiyong WangBo LiWalid LamineKarinne Miqueu Shih-Yuan Liu

Published in: Journal of the American Chemical Society (2023)

A method for the synthesis of allenes by the addition of ketones to 1,3-enynes by cooperative Pd(0)Senphos/B(C 6 F 5 ) 3 /NR 3 catalysis is described. A wide range of aryl- and aliphatic ketones undergo addition to various 1,3-enynes in high yields at room temperature. Mechanistic investigations revealed a rate-determining outer-sphere proton transfer mechanism, which was corroborated by DFT calculations.

Keyphrases

room temperature
density functional theory
ionic liquid
molecular dynamics
single cell
molecular docking
molecular dynamics simulations
visible light