Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes

Multifunctional catalysts in organic synthesis are highly attractive, particularly in the construction of complex molecules. In this work, we report a heterogeneous bifunctional Cu-based metal–organic framework (MOF) catalyst, IMU-108, serving as both a photoredox catalyst and a cross-coupling catal...

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Main Author: Lu Dong (741219) (author)
Other Authors: Hu Chen (19500) (author), Xiaoli Tan (199417) (author), Ning Zhang (23771) (author), Wei Sun (93580) (author), Dechao Li (13205977) (author), Guangchao Liang (1741795) (author), Yanyuan Jia (1855903) (author), Shuo Guo (5696564) (author)
Published: 2025
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Summary:Multifunctional catalysts in organic synthesis are highly attractive, particularly in the construction of complex molecules. In this work, we report a heterogeneous bifunctional Cu-based metal–organic framework (MOF) catalyst, IMU-108, serving as both a photoredox catalyst and a cross-coupling catalyst. IMU-108 was synthesized on a gram scale from Cu(NO<sub>3</sub>)<sub>2</sub>·3H<sub>2</sub>O and 5-mercaptoisophthalic acid precursors through a simple refluxing device. The structure of IMU-108 is formed via an <i>in situ</i> S–S bridge bond connecting zero-dimensional metal–organic polyhedra (MOPs), each composed of 12 Cu–Cu paddle-wheel motifs. These interpolyhedral S–S bonds result in a rigid geometric structure and ensure inner MOPs remain bench-stable while maintaining catalytic activity. We demonstrate the capacity of IMU-108 in heterogeneous photoredox-catalyzed cross-coupling of styrenes and α-bromo esters with boronic acids to yield various substituted 1,1-diaryl alkanes in a single step. The versatility of this method enables late-stage functionalization of complex molecules without the need for <i>de novo</i> synthesis. IMU-108 exhibits good reusability, maintaining its catalytic activity over ten consecutive reaction cycles. Furthermore, computational and mechanistic studies suggest that coordinatively unsaturated copper species on the surface of IMU-108 served as catalytically active sites, possessing competent Single-Electron Transfer (SET) reduction ability and facilitating cross-coupling reactions.