【摘 要】
：
Tsuji and co-workers first reported the Cu-catalyzed silacarboxylation of internal alkynes utilizing CO2 and silylborane affording two isomeric silalactone products P1 and P2 with high regioselectivit
【机 构】
：
School of Chemical Engineering,Shandong University of Technology,Zibo 255049,PR China;Northwest Inst
论文部分内容阅读
Tsuji and co-workers first reported the Cu-catalyzed silacarboxylation of internal alkynes utilizing CO2 and silylborane affording two isomeric silalactone products P1 and P2 with high regioselectivity [1].In order to get an insight into the origin of the high regioselectivity observed,detailed reaction mechanism was investigated with the help of the density functional theory calculations.[2-4].PCy3Cu-SiMe2Ph is believed to be the active catalyst.Syn addition of the internal alkyne R to the active catalyst was the selectivity-determining step and the rate-determining step.The electronic aspect is found in favor of the formation of P1 rather than P2.
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