Impact of counteranions on N-heterocyclic carbene gold(i)-catalyzed cyclization of propargylic amide.

ABSTRACT: N-Heterocyclic carbene (NHC) Au(i)-catalyzed organic synthesis has recently been receiving increasing attention, especially with the activation of alkynes. In contrast, counteranions, being widely problematic in Au(i)-catalyzed transformations, are commonly considered as innocent partners and are not respectably included in a computational model. Herein, we report density functional theory (DFT) investigations of the Au(i)-catalyzed cyclization of propargylic amides to exploit the mechanistic effect of several counteranions to shed some light for further future developments. Among the counteranions used in this study, NTf₂ ^-, ClO₄ ^-, TsO^-, TFA^-, TfO^-, MsO^-, and SbF₆ ^-, both the cyc

SUBMITTER: Ali HS 

PROVIDER: S-EPMC9850360 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature