Deng Pan
Dalian University of Technology
Allylic rearrangementMigratory insertionMedicinal chemistryCatalysisIntermolecular forceChemistryAminationAlkeneDecarboxylationRegioselectivity
Publications 1
#1Deng Pan (DUT: Dalian University of Technology)
#2Gen Luo (Anda: Anhui University)H-Index: 13
Last. Yi Luo (DUT: Dalian University of Technology)H-Index: 26
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Computational studies on Ir(III)-catalyzed intermolecular branch-selective allylic C–H amination of terminal olefins with methyl dioxazolone have been carried out to investigate the mechanism, including the origins of regioselectivity and catalytic activity difference. The result suggests that the reaction proceeds through generation of active species, alkene coordination, allylic C–H activation, decarboxylation, migratory insertion, and protodemetalation. The presence of AgNTf2 could thermodyna...