【摘 要】
：
Although remarkable progress on palladium-catalyzed direct functionalization of inert C-H bonds has been made,the progress of catalytic enantioselective C-H activation has lagged behind.An impressive
【机 构】
：
Lab of Computational Chemistry and Drug Design,Laboratory of Chemical Genomics,Peking University She
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Although remarkable progress on palladium-catalyzed direct functionalization of inert C-H bonds has been made,the progress of catalytic enantioselective C-H activation has lagged behind.An impressive breakthrough came from Yu and co-workers,who developed a strategy which employs chiral monoprotected amino acids(MPAA)as efficient ligands to enable enantioselective C-H activation of an array of prochiral substrates.[1] Despite the more and more applications of MPAAs,the mechanism of how chiral MPAA control the enantioselectivity is still not clear.[2a] In this work,we conducted a combined on-mobility mass spectrometry(IM-MS)and density functional theory(DFT)study to investigate the reaction mechanism and understand the origin of enantioselectivity.The model in which MPAA acts as bidentate ligand and carbonyl group in N-protecting group acts as proton acceptor[2b] successfully accounts for the enantioselectivity.The enantioselectivity originates from the rigidity of the bidentate MPAA and substrates coordination.
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