Magnesocenophane-Catalyzed Amine Borane Dehydrocoupling.

ABSTRACT: The Lewis acidities of a series of [n]magnesocenophanes (1?a-d) have been investigated computationally and found to be a function of the tilt of the cyclopentadienyl moieties. Their catalytic abilities in amine borane dehydrogenation/dehydrocoupling reactions have been probed, and C[1]magnesocenophane (1?a) has been shown to effectively catalyze the dehydrogenation/dehydrocoupling of dimethylamine borane (2?a) and diisopropylamine borane (2?b) under ambient conditions. Furthermore, the mechanism of the reaction with 2?a has been investigated experimentally and computationally, and the results imply a ligand-assisted mechanism involving stepwise proton and hydride transfer, with dimethylaminoborane as the key intermediate.

SUBMITTER: Wirtz L 

PROVIDER: S-EPMC7318289 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature