Why <i>p‐</i>Cymene? Conformational Effect in Asymmetric Hydrogenation of Aromatic Ketones with a η⁶‐Arene/Ruthenium(II) Catalyst

Abstract

The global reaction route mapping (GRRM) methods conveniently define transition states in asymmetric hydrogenation and transfer hydrogenation of aromatic ketones via the [RuH{(S,S)-TsNCH(C6 H5 )CH(C6 H5 )NH2 }(η(6) -p-cymene)] intermediate. Multiple electrostatic CH/π interactions are the common motif in the preferred diastereometric structures.