External electric field: a new catalytic strategy for the anti-Markovnikov hydrohydrazination of parent hydrazine.

ABSTRACT: The anti-Markovnikov hydroamination reaction is considered to be a particular challenge, and one of the reactants, parent hydrazine, is also regarded as a troubling reagent. In this study, we first studied the hydrohydrazination of parent hydrazine via an effective and green catalyst-external electric field (EEF). The calculation results demonstrated that the anti-Markovnikov and Markovnikov pathways are competitive when there was no catalyst. EEF oriented along the negative direction of the X axis (F _x ) accelerated the anti-Markovnikov addition reaction. Moreover, it lowered the barrier height of the first step by 16.0 kcal mol^-1 (from 27.8 to 11.8 kcal mol^-1) when the field strength was 180 (×10^-4) au. Under the same condi

SUBMITTER: Zhang MX 

PROVIDER: S-EPMC8695915 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature