Green Catalytic Method for Hydrothiolation of Allylamines: An External Electric Field.

ABSTRACT: Based on the idea of environmental friendliness, we first studied the hydrothiolation reactions of thiophenol with allylamine using a green catalyst-an external electric field (EEF). The hydrothiolation reactions could occur through Markovnikov addition (path M) and anti-Markovnikov addition (path AM) pathways. The calculation results demonstrated that when the EEF was oriented along F _-X , F _-Y , and F _+Z directions, path M was accelerated. However, it is favorable for path AM only when the EEF is oriented along the +X and -Y-axes. In addition, the introduction of the EEF further increased and lowered the differences of the reaction barrier as the EEF was oriented along F _-X ,

SUBMITTER: Zhang M 

PROVIDER: S-EPMC8867569 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature