An article Manganese-Catalyzed Hydrogenation of Ketones under Mild and Base-free Conditions WOS:000651063700024 published article about MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; ENANTIOSELECTIVE HYDROGENATION; EQUILIBRIUM GEOMETRIES; MN(I) COMPLEXES; AB-INITIO; PSEUDOPOTENTIALS; APPROXIMATION; EFFICIENT; ACCURACY in [Weber, Stefan; Bruenig, Julian; Kirchner, Karl] Vienna Univ Technol, Inst Appl Synthet Chem, A-1060 Vienna, Austria; [Veiros, Luis F.] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, P-1049001 Lisbon, Portugal; [Veiros, Luis F.] Univ Lisbon, Dept Engn, P-1049001 Lisbon, Portugal in 2021.0, Cited 73.0. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9. SDS of cas: 119-61-9
In this paper, several Mn(I) complexes were applied as catalysts for the homogeneous hydrogenation of ketones. The most active precatalyst is the bench-stable alkyl bisphosphine Mn(I) complexfac-[Mn(dippe) (CO)(3)(CH2CH2CH3)]. The reaction proceeds at room temperature under base-free conditions with a catalyst loading of 3 mol % and a hydrogen pressure of 10 bar. A temperature-dependent selectivity for the reduction of alpha,beta-unsaturated carbonyls was observed. At room temperature, the carbonyl group was selectively hydrogenated, while the C=C bond stayed intact. At 60 degrees C, fully saturated systems were obtained. A plausible mechanism based on DFT calculations which involves an inner-sphere hydride transfer is proposed.
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