Mechanism of Nakamura's Bisphosphine-Iron-Catalyzed Asymmetric C(sp²)-C(sp³) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways.
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 ha...
| Publicado en: | Journal of the American Chemical Society Vol. 139; no. 45; pp. 16126 - 16134 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
11/15/2017
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=126379971&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 126379971 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 11/15/2017 vid: 139 iid: 45 pid: 997 pub: American Chemical Society artinfo: ui: 126379971 10.1021/jacs.7b06377 ppf: 16126 ppct: 8 formats: tig: atl: Mechanism of Nakamura's Bisphosphine-Iron-Catalyzed Asymmetric C(sp²)-C(sp³) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways. aug: au: Wes Lee Jun Zhou Osvaldo Gutierrez affil: Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, United States su: Enantioselective catalysis Iron catalysts Quantum mechanics Density functional theory Grignard reagents sug: subj: Enantioselective catalysis Iron catalysts Quantum mechanics Density functional theory Grignard reagents ab: 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. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2017 holdings: @attributes: islocal: N |
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