Penta- versus hexa-coordinated iridium catalysts control the reactivity of the direct reductive amination between aliphatic amines and aliphatic ketones: a DFT-guided mechanism

Author:

Lin Hao1,Li Longfei1ORCID,Liu Lanbo1,Li Zhihui1,Nguyen Thi-Mo2ORCID,Jouffroy Matthieu3ORCID,Gramage-Doria Rafael2ORCID

Affiliation:

1. College of Pharmacy, Key Laboratory of Pharmaceutical Quality Control of Hebei Province, Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of Education, Hebei University, Baoding 071002, Hebei, P. R. China

2. Univ. Rennes, CNRS, ISCR–UMR6226, F-35000 Rennes, France

3. Chemical Process R&D, Discovery Process Research, Janssen Pharmaceutica N.V, Turnhoutseweg 30, 2340 Beerse, Belgium

Abstract

The mechanism of the iridium-catalysed direct reductive amination between aliphatic partners was studied by DFT calculations leading to important changes in the rate-determining step depending on the nature of the ligand coordinating to iridium.

Funder

Centre National de la Recherche Scientifique

National Natural Science Foundation of China

Hebei University

Publisher

Royal Society of Chemistry (RSC)

Reference111 articles.

1. P. W. N. M.van Leeuwen , Homogeneous Catalysis: Understanding the Art , Kluwer , Dordrecht , 2004

2. J. F.Hartwig , Organotransition Metal Chemistry: From Bonding to Catalysis , University Science Books , Sausalito , 2009

3. M.Beller and C.Bolm , Transition Metals for Organic Synthesis , Wiley-VCH , Weinheim , 2004

4. D.Selent and D.Heller , In-Situ Techniques for Homogeneous Catalysis in Catalysis: From Principles to Applications , ed. M. Beller , A. Renken and R. A. van Santen , Wiley-VCH , Weinheim , 2012 , pp. 465–490

5. Combining operando spectroscopy with experimental design, signal processing and advanced chemometrics

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