DFT Analysis into the Calcium(II)-Catalyzed Coupling of Alcohols With Vinylboronic acids: Cooperativity of Two Different Lewis Acids and Counterion Effects - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Organic Chemistry Année : 2021

DFT Analysis into the Calcium(II)-Catalyzed Coupling of Alcohols With Vinylboronic acids: Cooperativity of Two Different Lewis Acids and Counterion Effects

Résumé

The mechanism of the calcium-catalyzed coupling of alcohols with vinylboronic acids has been analyzed by means of DFT computations. This study reveals that the calcium and the boron Lewis acids associate to form a superelectrophile able to promote a pericyclic group

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Chimie
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Dates et versions

hal-03401941 , version 1 (25-10-2021)

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Shengwen Yang, Christophe Bour, David Lebœuf, Vincent Gandon. DFT Analysis into the Calcium(II)-Catalyzed Coupling of Alcohols With Vinylboronic acids: Cooperativity of Two Different Lewis Acids and Counterion Effects. Journal of Organic Chemistry, 2021, 86 (13), pp.9134-9144. ⟨10.1021/acs.joc.1c01263⟩. ⟨hal-03401941⟩
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