Mapping Catalyst-Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions.

ABSTRACT: Group 9 metals, in particular Rh^III complexes with cyclopentadienyl ligands, are competent C-H activation catalysts. Recently, a Cp*Rh^III -catalyzed reaction of alkenes with N-enoxyphthalimides showed divergent outcome based on the solvent, with carboamination favored in methanol and cyclopropanation in 2,2,2-trifluoroethanol (TFE). Here, we create selectivity and activity maps capable of unravelling the catalyst-solvent interplay on the outcome of these competing reactions by analyzing 42 cyclopentadienyl metal catalysts, Cp^X M^III (M=Co, Rh, Ir). These maps not only can be used to rationalize previously reported experimental results, but also capably predict the behavior of untested catalyst/solvent combinations as well as aid in identifying exp

SUBMITTER: Wodrich MD 

PROVIDER: S-EPMC9401068 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature