Penta- <i>versus</i> hexa-coordinated iridium catalysts control the reactivity of the direct reductive amination between aliphatic amines and aliphatic ketones: a DFT-guided mechanism-Reference-Cited by-同舟云学术

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

Published:2024 Issue:14 Volume:14 Page:3984-3995
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Lin Hao¹,Li Longfei¹^ORCID,Liu Lanbo¹,Li Zhihui¹,Nguyen Thi-Mo²^ORCID,Jouffroy Matthieu³^ORCID,Gramage-Doria Rafael²^ORCID

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)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CY/D4CY00516C

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