Synergistic Organoboron/Palladium Cocatalyzed Dehydrative Couplings of Azoles with Allylic Alcohols: A Combined Experimental and Computational Mechanistic Investigation DOI
Matthew T. Zambri,

Teh Ren Hou,

Sofia Jdanova

и другие.

ACS Catalysis, Год журнала: 2024, Номер 14(9), С. 6728 - 6739

Опубликована: Апрель 16, 2024

In the presence of Pd(Xantphos) and an electron-deficient arylboronic acid cocatalyst, azoles such as pyrazoles, triazoles, tetrazoles, purines undergo regioselective, dehydrative allylations with allylic alcohols. The boronic has a significant effect on both rate regioselectivity these reactions. Herein, combined experimental computational mechanistic study synergistic organoboron- palladium-catalyzed allylation is described. Kinetic analysis evaluation effects substitution reaction point toward turnover-limiting ionization alcohol, Lewis activation by acid. Computational modeling pathway density functional theory indicates that alcohol also regioselectivity-determining step resulting ion pair undergoes C–N bond formation through outer-sphere mechanism. An unexpected observation autocatalysis emerged from kinetic motivated additives, leading to development improved protocol.

Язык: Английский

Unified Strategy for the Concise Total Syntheses of All Six 3″-O-Acyl Quercitrins Based on Regioselective Acylation Catalyzed by Boronic Acid DOI

Miwako Tanikawa,

T. Ishida, Yuki Nakamura

и другие.

The Journal of Organic Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Фев. 3, 2025

The naturally occurring 3″-O-acylquercitrin family exhibits a range of biological activities with significant potential health and medical benefits. Herein, we present unified strategy for concise total syntheses all six known natural products─namely, 3″-O-galloylquercitrin, 3″-O-(E)-cinnamoylquercitrin, 3″-O-(E)-coumaroylquercitrin, 3″-O-(E)-feruloylquercitrin, 3″-O-acetylquercitrin, 3″-O-tigloylquercitrin─based on regioselective acylation carbohydrates catalyzed by N-methylimidazole-containing boronic acid. core advancement in this approach is late-stage catalytic functionalization common synthetic intermediate, enabling efficient access to the products.

Язык: Английский

Процитировано

0

Site-Switchable Alkylation of Carbohydrates Controlled by Inexpensive Metal Ion Catalysts DOI

Yang‐Fan Guo,

Lanyue Zhang, Guohui Zhang

и другие.

ACS Catalysis, Год журнала: 2025, Номер unknown, С. 7414 - 7428

Опубликована: Апрель 20, 2025

Язык: Английский

Процитировано

0

Synergistic Organoboron/Palladium Cocatalyzed Dehydrative Couplings of Azoles with Allylic Alcohols: A Combined Experimental and Computational Mechanistic Investigation DOI
Matthew T. Zambri,

Teh Ren Hou,

Sofia Jdanova

и другие.

ACS Catalysis, Год журнала: 2024, Номер 14(9), С. 6728 - 6739

Опубликована: Апрель 16, 2024

In the presence of Pd(Xantphos) and an electron-deficient arylboronic acid cocatalyst, azoles such as pyrazoles, triazoles, tetrazoles, purines undergo regioselective, dehydrative allylations with allylic alcohols. The boronic has a significant effect on both rate regioselectivity these reactions. Herein, combined experimental computational mechanistic study synergistic organoboron- palladium-catalyzed allylation is described. Kinetic analysis evaluation effects substitution reaction point toward turnover-limiting ionization alcohol, Lewis activation by acid. Computational modeling pathway density functional theory indicates that alcohol also regioselectivity-determining step resulting ion pair undergoes C–N bond formation through outer-sphere mechanism. An unexpected observation autocatalysis emerged from kinetic motivated additives, leading to development improved protocol.

Язык: Английский

Процитировано

2