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Asymmetric Transfer Hydrogenation of Acetophenone N-Benzylimine Using [(RuCl)-Cl-II((S,S)-TsDPEN)(eta(6)-p-cymene)]: A DFT Study
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SYSNO ASEP 0390161 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Asymmetric Transfer Hydrogenation of Acetophenone N-Benzylimine Using [(RuCl)-Cl-II((S,S)-TsDPEN)(eta(6)-p-cymene)]: A DFT Study Author(s) Šot, P. (CZ)
Kuzma, Marek (MBU-M) ORCID, RID
Václavík, J. (CZ)
Pecháček, J. (CZ)
Přech, J. (CZ)
Januščák, J. (CZ)
Kačer, P. (CZ)Source Title Organometallics. - : American Chemical Society - ISSN 0276-7333
Roč. 31, č. 17 (2012), s. 6496-6499Number of pages 4 s. Language eng - English Country US - United States Keywords CARBONYL-COMPOUNDS ; KETONES ; IMINES Subject RIV CA - Inorganic Chemistry R&D Projects GA104/09/1497 GA ČR - Czech Science Foundation (CSF) GAP106/12/1276 GA ČR - Czech Science Foundation (CSF) Institutional support MBU-M - RVO:61388971 UT WOS 000308513000064 DOI 10.1021/om300413n Annotation Asymmetric transfer hydrogenation of the acyclic imine acetophenone N-benzylimine was studied by means of computational chemistry. Calculated transition states offer an explanation of why this prochiral imine leads to the delivery of (S)-amine (when using (S,S)-TsDPEN ligand) rather than (R)-amine, which is common for endocyclic imines (e.g., substituted 3,4-dihydroisoquinolines or 3,4-dihydro-beta-carbolines). This study extends our previous investigation of the so-called ionic mechanism Workplace Institute of Microbiology Contact Eliška Spurná, eliska.spurna@biomed.cas.cz, Tel.: 241 062 231 Year of Publishing 2013
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