Asymmetric Transfer Hydrogenation of Acetophenone <i>N</i>‑Benzylimine Using [Ru<sup>II</sup>Cl((<i>S,S</i>)‑TsDPEN)(η<sup>6</sup>‑<i>p</i>‑cymene)]: A DFT Study
2012-09-10T00:00:00Z (GMT) by
Asymmetric transfer hydrogenation of the acyclic imine acetophenone <i>N</i>-benzylimine was studied by means of computational chemistry. Calculated transition states offer an explanation of why this prochiral imine leads to the delivery of (<i>S</i>)-amine (when using (<i>S,S</i>)-TsDPEN ligand) rather than (<i>R</i>)-amine, which is common for endocyclic imines (e.g., substituted 3,4-dihydroisoquinolines or 3,4-dihydro-β-carbolines). This study extends our previous investigation of the so-called <i>ionic mechanism</i>.
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