Mechanistic Insights into the Dual Directing Group-Mediated C-H Functionalization/Annulation via a Hydroxyl Group-Assisted M^III-M^V-M^III Pathway.

ABSTRACT: The experimental investigations on the catalyst [Cp*Rh(OAc)₂ and Cp*Ir (OAc)₂)]-controlled [3 + 2] and [4 + 2] annulations of oximes with propargyl alcohols have been finished in our previous work and a supposed dual directing group-mediated reaction pathway has been deduced for the chemodivergent product synthesis. However, the detailed interaction modes of the dual directing groups binding with the corresponding metal center to achieve the above observed chemoselectivity remain unclear and even contradict. For instance, the calculational traditional dual direct coupling transition states suggested that both Cp*Rh(OAc)₂- and Cp*Ir(OAc)₂-catalyzed reactions would generate five-membered indenamines as the dominant products via [3 + 2] annul

SUBMITTER: Xu H 

PROVIDER: S-EPMC8280669 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature