Ag/Co-Bimetallic Cooperation in the C–H Functionalization of Aliphatic Amides with Propiolic Acids

IF 11.3 1区化学 Q1 CHEMISTRY, PHYSICAL ACS Catalysis Pub Date : 2024-12-16 DOI:10.1021/acscatal.4c05918

Andrés García-Viada, Emma Duro, Celia Sánchez-González, Inés Alonso, Nuria Rodríguez, Javier Adrio, Juan C. Carretero

引用次数: 0

Abstract

We herein describe the high-valent cobalt-catalyzed C(sp³)–H functionalization of amide derivatives with silver acetylides generated in situ. The reaction proceeds under kinetic control at 60 °C, with a catalyst loading of 5 mol %. These extraordinarily mild conditions for Co-catalysis enable the synthesis of 5-(Z)-ethylidene pyrrolidin-2-one derivatives in good yield and selectivity. Density functional theory calculations have revealed a unique mechanism involving Co–Ag bimetallic species, rationalizing the nature of the catalytically active species and the role of each additive.

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银/共双金属在脂肪族酰胺与丙炔酸的 C-H 功能化中的协同作用

我们在此介绍高价钴催化的 C(sp3)-H 功能化酰胺衍生物与原位生成的乙酰化银的反应。反应在 60 °C 的动力学控制下进行，催化剂负载为 5 摩尔%。这些异常温和的协同催化条件使得 5-(Z)-亚乙基吡咯烷-2-酮衍生物的合成具有良好的产率和选择性。密度泛函理论计算揭示了涉及 Co-Ag 双金属物种的独特机理，合理解释了催化活性物种的性质和每种添加剂的作用。

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来源期刊

ACS Catalysis CHEMISTRY, PHYSICAL-

CiteScore

20.80

自引率

6.20%

发文量

1253

审稿时长

1.5 months

期刊介绍： ACS Catalysis is an esteemed journal that publishes original research in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. It offers broad coverage across diverse areas such as life sciences, organometallics and synthesis, photochemistry and electrochemistry, drug discovery and synthesis, materials science, environmental protection, polymer discovery and synthesis, and energy and fuels. The scope of the journal is to showcase innovative work in various aspects of catalysis. This includes new reactions and novel synthetic approaches utilizing known catalysts, the discovery or modification of new catalysts, elucidation of catalytic mechanisms through cutting-edge investigations, practical enhancements of existing processes, as well as conceptual advances in the field. Contributions to ACS Catalysis can encompass both experimental and theoretical research focused on catalytic molecules, macromolecules, and materials that exhibit catalytic turnover.