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TITLE:
A Theoretically-Guided Optimization of a New Family of Modular P,S-Ligands for Iridium-Catalyzed Hydrogenation of Minimally Functionalized Olefins - PC:1258

URV's Author/s:Miquel A. Pericàs
DIÉGUEZ FERNÁNDEZ, MONTSERRAT
Javier Mazuela
Mercè Coll
Erik A. Karlsson
Xisco Caldentey
Jèssica Margalef
PAMIES OLLÉ, OSCAR
Author, as appears in the article.:Miquel A. Pericàs
Montserrat Diéguez
Javier Mazuela
Mercè Coll
Erik A. Karlsson
Xisco Caldentey
Jèssica Margalef
Oscar Pàmies
Author identifier:0000-0003-0195-8846
0000-0002-8450-0656
n/a
n/a
n/a
n/a
n/a
0000-0002-2352-8508
Journal publication year:2014
Publication Type:Post-print
ISSN:0947-6539
Abstract:A library of modular iridium complexes derived from thioether-phosphite/phosphinite ligands has been evaluated in the asymmetric iridium-catalyzed hydrogenation of minimally functionalized olefins. The modular ligand design has been shown to be crucial in finding highly selective catalysts for each substrate. A DFT study of the transition state responsible for the enantiocontrol in the Ir-catalyzed hydrogenation is also described and used for further optimization of the crucial stereodefining moieties. Excellent enantioselectivities (enantiomeric excess (ee) values up to 99%) have been obtained for a range of substrates, including E- and Ztrisubstituted and disubstituted olefins, a,b-unsaturated enones, tri- and disubstituted alkenylboronic esters, and olefins with trifluoromethyl substituents.
Article's DOI:10.1002/chem.201402978
Link to the original source:https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201402978
Paper version:info:eu-repo/semantics/acceptedVersion
licence for use:https://creativecommons.org/licenses/by/3.0/es/
Department:Química Física i Inorgànica
Research group:Organometàl.lics i Catàlisi Homogènia
Licence document URL:https://repositori.urv.cat/ca/proteccio-de-dades/
Thematic Areas:Chemistry
Keywords:Asymmetric catalysis
Entity:Universitat Rovira i Virgili
Record's date:2015-11-26
First page:21201
Last page:21214
Journal volume:20
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