Literature DB >> 29017326

Mechanism of Nakamura's Bisphosphine-Iron-Catalyzed Asymmetric C(sp2)-C(sp3) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways.

Wes Lee1, Jun Zhou1, Osvaldo Gutierrez1.   

Abstract

Quantum mechanical calculations are employed to investigate the mechanism and origin of stereoinduction in asymmetric iron-catalyzed C(sp2)-C(sp3) cross-coupling reaction between Grignard reagents and α-chloroesters. A coherent mechanistic picture of this transformation is revealed. These results have broad implications for understanding the mechanisms of iron-catalyzed cross-coupling reactions and rational design of novel iron-based catalysts for asymmetric transformations.

Entities:  

Year:  2017        PMID： 29017326     DOI： 10.1021/jacs.7b06377

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  12 in total

1.  Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

Authors:  Konstantinos D Vogiatzis; Mikhail V Polynski; Justin K Kirkland; Jacob Townsend; Ali Hashemi; Chong Liu; Evgeny A Pidko
Journal:  Chem Rev       Date:  2018-10-30       Impact factor: 60.622

2.  Mechanisms, Challenges, and Opportunities of Dual Ni/Photoredox-Catalyzed C(sp2)-C(sp3) Cross-Couplings.

Authors:  Mingbin Yuan; Osvaldo Gutierrez
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2021-09-21

3.  General method for iron-catalyzed multicomponent radical cascades-cross-couplings.

Authors:  Lei Liu; Maria Camila Aguilera; Wes Lee; Cassandra R Youshaw; Michael L Neidig; Osvaldo Gutierrez
Journal:  Science       Date:  2021-10-21       Impact factor: 63.714

4.  On the Nature of C(sp3)-C(sp2) Bond Formation in Nickel-Catalyzed Tertiary Radical Cross-Couplings: A Case Study of Ni/Photoredox Catalytic Cross-Coupling of Alkyl Radicals and Aryl Halides.

Authors:  Mingbin Yuan; Zhihui Song; Shorouk O Badir; Gary A Molander; Osvaldo Gutierrez
Journal:  J Am Chem Soc       Date:  2020-04-01       Impact factor: 15.419

5.  Development and Evolution of Mechanistic Understanding in Iron-Catalyzed Cross-Coupling.

Authors:  Michael L Neidig; Stephanie H Carpenter; Daniel J Curran; Joshua C DeMuth; Valerie E Fleischauer; Theresa E Iannuzzi; Peter G N Neate; Jeffrey D Sears; Nikki J Wolford
Journal:  Acc Chem Res       Date:  2018-12-28       Impact factor: 22.384

6.  Intermediates and Mechanism in Iron-Catalyzed Cross-Coupling.

Authors:  Jeffrey D Sears; Peter G N Neate; Michael L Neidig
Journal:  J Am Chem Soc       Date:  2018-09-18       Impact factor: 15.419

7.  General Method for Enantioselective Three-Component Carboarylation of Alkenes Enabled by Visible-Light Dual Photoredox/Nickel Catalysis.

Authors:  Lei Guo; Mingbin Yuan; Yanyan Zhang; Fang Wang; Shengqing Zhu; Osvaldo Gutierrez; Lingling Chu
Journal:  J Am Chem Soc       Date:  2020-11-19       Impact factor: 15.419

8.  Fe-catalyzed three-component dicarbofunctionalization of unactivated alkenes with alkyl halides and Grignard reagents.

Authors:  Lei Liu; Wes Lee; Cassandra R Youshaw; Mingbin Yuan; Michael B Geherty; Peter Y Zavalij; Osvaldo Gutierrez
Journal:  Chem Sci       Date:  2020-07-24       Impact factor: 9.825

9.  Revealing the Iron-Catalyzed β-Methyl Scission of tert-Butoxyl Radicals via the Mechanistic Studies of Carboazidation of Alkenes.

Authors:  Mong-Feng Chiou; Haigen Xiong; Yajun Li; Hongli Bao; Xinhao Zhang
Journal:  Molecules       Date:  2020-03-09       Impact factor: 4.411

10.  A DFT Study on FeI/FeII/FeIII Mechanism of the Cross-Coupling between Haloalkane and Aryl Grignard Reagent Catalyzed by Iron-SciOPP Complexes.

Authors:  Akhilesh K Sharma; Masaharu Nakamura
Journal:  Molecules       Date:  2020-08-08       Impact factor: 4.411
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