4.6 Article

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

Journal

CHEMISTRY-AN ASIAN JOURNAL
Volume 10, Issue 1, Pages 112-115

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.201402979

Keywords

asymmetric catalysis; CH; interaction; density functional calculations; hydrogenation; ruthenium

Funding

  1. Grants-in-Aid for Scientific Research [13J04305] Funding Source: KAKEN

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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(C6H5)CH(C6H5)NH2}((6)-p-cymene)] intermediate. Multiple electrostatic CH/ interactions are the common motif in the preferred diastereometric structures.

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