Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group

Abstract Transition-metal-catalyzed C-H alkylation of heteroaromatics with alkenes represents an atom-economical and cost-effective strategy for accessing industrially and pharmaceutically relevant compounds. However, the selective C5-H alkylation of biomass-derived furfural and its isosteric analog...

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Main Authors: Olga V. Khazipova, Oleg V. Khazipov, Konstantin E. Shepelenko, Alexey S. Kashin, Yu Zhang, Victor M. Chernyshev, Valentine P. Ananikov
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-025-01653-5
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author Olga V. Khazipova
Oleg V. Khazipov
Konstantin E. Shepelenko
Alexey S. Kashin
Yu Zhang
Victor M. Chernyshev
Valentine P. Ananikov
author_facet Olga V. Khazipova
Oleg V. Khazipov
Konstantin E. Shepelenko
Alexey S. Kashin
Yu Zhang
Victor M. Chernyshev
Valentine P. Ananikov
author_sort Olga V. Khazipova
collection DOAJ
description Abstract Transition-metal-catalyzed C-H alkylation of heteroaromatics with alkenes represents an atom-economical and cost-effective strategy for accessing industrially and pharmaceutically relevant compounds. However, the selective C5-H alkylation of biomass-derived furfural and its isosteric analog, thiophene-2-carboxaldehyde, highly challenging yet industrially vital substrates, has remained elusive. Herein, we disclose a Ni/NHC-catalyzed strategy for the C5-H alkylation of furan- and thiophene-2-carboxaldehydes with styrenes and norbornene, enabled by a readily installable and recyclable N-PMP (p-methoxyphenyl) imine protecting group. This method also achieves selective C5-H alkenylation with internal alkynes. Mechanistic studies suggest that C-H alkylation proceeds via a ligand-to-ligand hydrogen transfer (LLHT) pathway. The N-PMP imine group effectively suppresses undesirable benzoin condensation of these reactive aldehydes and prevents NHC trapping in Breslow intermediates, a major catalyst deactivation pathway. The protecting group is efficiently cleaved under acid hydrolysis, yielding C5-functionalized aldehydes, while the liberated anisidine can be recycled for imine substrate preparation. This work also highlights the largely unexplored potential of the N-aryl imine group as the protecting group for distal C(sp²)-H functionalization of heteroaromatic aldehydes under Ni catalysis.
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spelling doaj-art-bf1b7f3d3d484f07b65cfc7b6f1d27a52025-08-24T11:12:19ZengNature PortfolioCommunications Chemistry2399-36692025-08-018111310.1038/s42004-025-01653-5Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting groupOlga V. Khazipova0Oleg V. Khazipov1Konstantin E. Shepelenko2Alexey S. Kashin3Yu Zhang4Victor M. Chernyshev5Valentine P. Ananikov6Platov South-Russian State Polytechnic University (NPI)Platov South-Russian State Polytechnic University (NPI)Platov South-Russian State Polytechnic University (NPI)Zelinsky Institute of Organic Chemistry, Russian Academy of SciencesGuangzhou Institute of Energy Conversion, Chinese Academy of SciencesPlatov South-Russian State Polytechnic University (NPI)Platov South-Russian State Polytechnic University (NPI)Abstract Transition-metal-catalyzed C-H alkylation of heteroaromatics with alkenes represents an atom-economical and cost-effective strategy for accessing industrially and pharmaceutically relevant compounds. However, the selective C5-H alkylation of biomass-derived furfural and its isosteric analog, thiophene-2-carboxaldehyde, highly challenging yet industrially vital substrates, has remained elusive. Herein, we disclose a Ni/NHC-catalyzed strategy for the C5-H alkylation of furan- and thiophene-2-carboxaldehydes with styrenes and norbornene, enabled by a readily installable and recyclable N-PMP (p-methoxyphenyl) imine protecting group. This method also achieves selective C5-H alkenylation with internal alkynes. Mechanistic studies suggest that C-H alkylation proceeds via a ligand-to-ligand hydrogen transfer (LLHT) pathway. The N-PMP imine group effectively suppresses undesirable benzoin condensation of these reactive aldehydes and prevents NHC trapping in Breslow intermediates, a major catalyst deactivation pathway. The protecting group is efficiently cleaved under acid hydrolysis, yielding C5-functionalized aldehydes, while the liberated anisidine can be recycled for imine substrate preparation. This work also highlights the largely unexplored potential of the N-aryl imine group as the protecting group for distal C(sp²)-H functionalization of heteroaromatic aldehydes under Ni catalysis.https://doi.org/10.1038/s42004-025-01653-5
spellingShingle Olga V. Khazipova
Oleg V. Khazipov
Konstantin E. Shepelenko
Alexey S. Kashin
Yu Zhang
Victor M. Chernyshev
Valentine P. Ananikov
Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
Communications Chemistry
title Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
title_full Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
title_fullStr Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
title_full_unstemmed Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
title_short Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group
title_sort ni nhc catalyzed c5 h alkylation and alkenylation of challenging furan thiophene 2 carboxaldehydes enabled by recyclable imine protecting group
url https://doi.org/10.1038/s42004-025-01653-5
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