On the possibility of conversion of alcohols to ketones and aldehydes by phosphinoboranes R2PBR'R'': a computational study.
Can phosphinoboranes promote hydrogenation of carbonyl moieties? By means of B3LYP and MPW1K density functional calculations the likelihood of the oxidation of alcohols by phosphinoboranes R(2)PBR'(2) (1) was explored. As a proof-of-principle, a theoretical study that tests the reversibility of the alcohol oxidation is reported. The potential of 1 as a metal-free hydrogenation mediator is discussed for a series of hydrogen sources such as primary and secondary alcohols.
Privalov
Timofei
T
Organic Chemistry, Stockholm University, Arrhenius Laboratory, 106 91 Stockholm, Sweden. priti@organ.su.se