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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محفوظ في:
التفاصيل البيبلوغرافية
المؤلف الرئيسي: Lu Dong (741219) (author)
مؤلفون آخرون: 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)
منشور في: 2025
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_version_ 1852022514048303104
author Lu Dong (741219)
author2 Hu Chen (19500)
Xiaoli Tan (199417)
Ning Zhang (23771)
Wei Sun (93580)
Dechao Li (13205977)
Guangchao Liang (1741795)
Yanyuan Jia (1855903)
Shuo Guo (5696564)
author2_role author
author
author
author
author
author
author
author
author_facet Lu Dong (741219)
Hu Chen (19500)
Xiaoli Tan (199417)
Ning Zhang (23771)
Wei Sun (93580)
Dechao Li (13205977)
Guangchao Liang (1741795)
Yanyuan Jia (1855903)
Shuo Guo (5696564)
author_role author
dc.creator.none.fl_str_mv Lu Dong (741219)
Hu Chen (19500)
Xiaoli Tan (199417)
Ning Zhang (23771)
Wei Sun (93580)
Dechao Li (13205977)
Guangchao Liang (1741795)
Yanyuan Jia (1855903)
Shuo Guo (5696564)
dc.date.none.fl_str_mv 2025-02-24T09:44:31Z
dc.identifier.none.fl_str_mv 10.1021/acscatal.5c00755.s003
dc.relation.none.fl_str_mv https://figshare.com/articles/dataset/Bifunctional_Copper_Metal_Organic_Framework_Catalyst_for_Late-Stage_Functionalization_of_Alkenes/28468893
dc.rights.none.fl_str_mv CC BY-NC 4.0
info:eu-repo/semantics/openAccess
dc.subject.none.fl_str_mv Biophysics
Biochemistry
Medicine
Microbiology
Cell Biology
Molecular Biology
Biotechnology
Chemical Sciences not elsewhere classified
simple refluxing device
mercaptoisophthalic acid precursors
mechanistic studies suggest
catalytically active sites
alkenes multifunctional catalysts
de novo </
possessing competent single
rigid geometric structure
method enables late
complex molecules without
2 </ sub
heterogeneous bifunctional cu
maintaining catalytic activity
complex molecules
catalytic activity
situ </
single step
heterogeneous photoredox
wheel motifs
stage functionalization
reduction ability
mops ),
highly attractive
gram scale
formed via
electron transfer
diaryl alkanes
bromo esters
boronic acids
bonds result
dc.title.none.fl_str_mv Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
dc.type.none.fl_str_mv Dataset
info:eu-repo/semantics/publishedVersion
dataset
description 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.
eu_rights_str_mv openAccess
id Manara_3e3bb9f8ae933ca7ff0ff37282ece75f
identifier_str_mv 10.1021/acscatal.5c00755.s003
network_acronym_str Manara
network_name_str ManaraRepo
oai_identifier_str oai:figshare.com:article/28468893
publishDate 2025
repository.mail.fl_str_mv
repository.name.fl_str_mv
repository_id_str
rights_invalid_str_mv CC BY-NC 4.0
spelling Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of AlkenesLu Dong (741219)Hu Chen (19500)Xiaoli Tan (199417)Ning Zhang (23771)Wei Sun (93580)Dechao Li (13205977)Guangchao Liang (1741795)Yanyuan Jia (1855903)Shuo Guo (5696564)BiophysicsBiochemistryMedicineMicrobiologyCell BiologyMolecular BiologyBiotechnologyChemical Sciences not elsewhere classifiedsimple refluxing devicemercaptoisophthalic acid precursorsmechanistic studies suggestcatalytically active sitesalkenes multifunctional catalystsde novo </possessing competent singlerigid geometric structuremethod enables latecomplex molecules without2 </ subheterogeneous bifunctional cumaintaining catalytic activitycomplex moleculescatalytic activitysitu </single stepheterogeneous photoredoxwheel motifsstage functionalizationreduction abilitymops ),highly attractivegram scaleformed viaelectron transferdiaryl alkanesbromo estersboronic acidsbonds resultMultifunctional 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.2025-02-24T09:44:31ZDatasetinfo:eu-repo/semantics/publishedVersiondataset10.1021/acscatal.5c00755.s003https://figshare.com/articles/dataset/Bifunctional_Copper_Metal_Organic_Framework_Catalyst_for_Late-Stage_Functionalization_of_Alkenes/28468893CC BY-NC 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/284688932025-02-24T09:44:31Z
spellingShingle Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
Lu Dong (741219)
Biophysics
Biochemistry
Medicine
Microbiology
Cell Biology
Molecular Biology
Biotechnology
Chemical Sciences not elsewhere classified
simple refluxing device
mercaptoisophthalic acid precursors
mechanistic studies suggest
catalytically active sites
alkenes multifunctional catalysts
de novo </
possessing competent single
rigid geometric structure
method enables late
complex molecules without
2 </ sub
heterogeneous bifunctional cu
maintaining catalytic activity
complex molecules
catalytic activity
situ </
single step
heterogeneous photoredox
wheel motifs
stage functionalization
reduction ability
mops ),
highly attractive
gram scale
formed via
electron transfer
diaryl alkanes
bromo esters
boronic acids
bonds result
status_str publishedVersion
title Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
title_full Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
title_fullStr Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
title_full_unstemmed Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
title_short Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
title_sort Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes
topic Biophysics
Biochemistry
Medicine
Microbiology
Cell Biology
Molecular Biology
Biotechnology
Chemical Sciences not elsewhere classified
simple refluxing device
mercaptoisophthalic acid precursors
mechanistic studies suggest
catalytically active sites
alkenes multifunctional catalysts
de novo </
possessing competent single
rigid geometric structure
method enables late
complex molecules without
2 </ sub
heterogeneous bifunctional cu
maintaining catalytic activity
complex molecules
catalytic activity
situ </
single step
heterogeneous photoredox
wheel motifs
stage functionalization
reduction ability
mops ),
highly attractive
gram scale
formed via
electron transfer
diaryl alkanes
bromo esters
boronic acids
bonds result