Factors driving the Ni/Cu cooperative asymmetric propargylation of aldimine esters
Sciortino, Giuseppe (Institut d'Investigacions Químiques de Catalunya)
Maseras Cuní, Feliu (Institut d'Investigacions Químiques de Catalunya)

Data:	2023
Resum:	The factors driving the Ni0(binap)/CuI(phospherrox) cooperative asymmetric propargylation of aldimine esters are unveiled through DFT calculations. The system is fully explored accounting for conformational complexity and aggregation steps. The activation of the substrates proceeds independently, while the intercatalyst communication occurs both through indirect cooperativity, exchanging the non-innocent MeOCO2−, and through direct cooperation in the stereoselective C-C coupling driven by intercatalyst interactions.
Ajuts:	Agencia Estatal de Investigación PID2020-112825RB-I00 Agencia Estatal de Investigación CEX2019-000925-S Ministerio de Ciencia e Innovación FJC2019-039135-I
Drets:	Tots els drets reservats.
Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Publicat a:	Chemical communications, Vol. 59, Issue 43 (May 2023) , p. 6521-6524, ISSN 1364-548X

DOI: 10.1039/d3cc01309j
PMID: 37158731

Disponible a partir de: 2024-05-31 Postprint

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