【摘 要】
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Transition-metal-catalyzed C-H bond functionalization has attracted widespread attention due to its high efficiency and atom economy.However,most of these t
【机 构】
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The College of Chemistry and Molecular Engineering,Zhengzhou University,Zhengzhou,450001
【出 处】
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中国化学会全国第十二届有机合成化学学术研讨会
论文部分内容阅读
Transition-metal-catalyzed C-H bond functionalization has attracted widespread attention due to its high efficiency and atom economy.However,most of these transformations have been accomplished with the aid of transition metals such as palladium,rhodium,and ruthenium.Cheaper and naturally abundant cobalt as a catalyst for C-H bond functionalization has been greatly developed with significant progress being achieved.However,the mechanisms of many of these reactions(such as the cobalt-catalyzed C-H oxidation)are poorly understood.Recently,we reported the first CoII-catalyzed alkoxylation of C(sp2)-H bonds under basic and oxidizing conditions.In this paper,possible mechanisms including single electron transfer(SET)and the concerted metalation-deprotonation(CMD)pathways of the CoII/CoIII-catalyzed alkoxylation of C(sp2)-H bonds have been investigated by using the DFT method.It should be helpful for chemists to understand the general mechanism and the roles of the additives and catalysts in the CoII/CoIII-catalyzed C-H functionalization.
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