Iron-catalyzed alkyne alkylzincation affected by counterions

Abstract Metal complex catalysts typically comprise three components: ligands, central metals, and counterions. The counterion profoundly influences the activity and selectivity of numerous catalytic reactions, while such a phenomenon is rarely observed in carbozincation reactions. Herein, we discov...

Full description

Saved in:
Bibliographic Details
Main Authors: Lu-Jie Li, Qiao Zhang, Peng He, Ming-Yao Huang, Shou-Fei Zhu
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62460-z
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1849342420881244160
author Lu-Jie Li
Qiao Zhang
Peng He
Ming-Yao Huang
Shou-Fei Zhu
author_facet Lu-Jie Li
Qiao Zhang
Peng He
Ming-Yao Huang
Shou-Fei Zhu
author_sort Lu-Jie Li
collection DOAJ
description Abstract Metal complex catalysts typically comprise three components: ligands, central metals, and counterions. The counterion profoundly influences the activity and selectivity of numerous catalytic reactions, while such a phenomenon is rarely observed in carbozincation reactions. Herein, we discover that the catalytic efficiency of iron-catalyzed alkylzincation of alkynes is markedly enhanced when the weakly coordinating bulky counterion tetrakis(3,5-bis(trifluoromethyl)phenyl)borate ([BArF 4]−) is incorporated into the reaction. This approach yields ionic iron catalysts with exceptional activity (up to 32,900 TON), regioselectivity (mostly >95:5), and stereoselectivity (mostly >95:5) in both alkylzincation reactions of terminal and internal alkynes. Notably, the methylzincation of non-activated terminal and internal alkynes is rendered feasible. This methodology also enables the efficient synthesis of a diverse array of biologically active molecules and their key intermediates. Mechanistic investigations suggest that a cationic Fe(II) species serves as the active catalytic species and the weakly coordinating bulky counterion stabilizes a cationic iron(II) alkyl complex without competing with the alkyne substrate.
format Article
id doaj-art-1998df7bc1ff45dfb43fce41920ee3f7
institution Kabale University
issn 2041-1723
language English
publishDate 2025-08-01
publisher Nature Portfolio
record_format Article
series Nature Communications
spelling doaj-art-1998df7bc1ff45dfb43fce41920ee3f72025-08-20T03:43:22ZengNature PortfolioNature Communications2041-17232025-08-0116111210.1038/s41467-025-62460-zIron-catalyzed alkyne alkylzincation affected by counterionsLu-Jie Li0Qiao Zhang1Peng He2Ming-Yao Huang3Shou-Fei Zhu4Academy for Advanced Interdisciplinary Studies, Frontiers Science Center for New Organic Matter, State Key Laboratory and Institute of Elemento-Organic Chemistry, College of Chemistry, Nankai UniversityAcademy for Advanced Interdisciplinary Studies, Frontiers Science Center for New Organic Matter, State Key Laboratory and Institute of Elemento-Organic Chemistry, College of Chemistry, Nankai UniversityAcademy for Advanced Interdisciplinary Studies, Frontiers Science Center for New Organic Matter, State Key Laboratory and Institute of Elemento-Organic Chemistry, College of Chemistry, Nankai UniversityAcademy for Advanced Interdisciplinary Studies, Frontiers Science Center for New Organic Matter, State Key Laboratory and Institute of Elemento-Organic Chemistry, College of Chemistry, Nankai UniversityAcademy for Advanced Interdisciplinary Studies, Frontiers Science Center for New Organic Matter, State Key Laboratory and Institute of Elemento-Organic Chemistry, College of Chemistry, Nankai UniversityAbstract Metal complex catalysts typically comprise three components: ligands, central metals, and counterions. The counterion profoundly influences the activity and selectivity of numerous catalytic reactions, while such a phenomenon is rarely observed in carbozincation reactions. Herein, we discover that the catalytic efficiency of iron-catalyzed alkylzincation of alkynes is markedly enhanced when the weakly coordinating bulky counterion tetrakis(3,5-bis(trifluoromethyl)phenyl)borate ([BArF 4]−) is incorporated into the reaction. This approach yields ionic iron catalysts with exceptional activity (up to 32,900 TON), regioselectivity (mostly >95:5), and stereoselectivity (mostly >95:5) in both alkylzincation reactions of terminal and internal alkynes. Notably, the methylzincation of non-activated terminal and internal alkynes is rendered feasible. This methodology also enables the efficient synthesis of a diverse array of biologically active molecules and their key intermediates. Mechanistic investigations suggest that a cationic Fe(II) species serves as the active catalytic species and the weakly coordinating bulky counterion stabilizes a cationic iron(II) alkyl complex without competing with the alkyne substrate.https://doi.org/10.1038/s41467-025-62460-z
spellingShingle Lu-Jie Li
Qiao Zhang
Peng He
Ming-Yao Huang
Shou-Fei Zhu
Iron-catalyzed alkyne alkylzincation affected by counterions
Nature Communications
title Iron-catalyzed alkyne alkylzincation affected by counterions
title_full Iron-catalyzed alkyne alkylzincation affected by counterions
title_fullStr Iron-catalyzed alkyne alkylzincation affected by counterions
title_full_unstemmed Iron-catalyzed alkyne alkylzincation affected by counterions
title_short Iron-catalyzed alkyne alkylzincation affected by counterions
title_sort iron catalyzed alkyne alkylzincation affected by counterions
url https://doi.org/10.1038/s41467-025-62460-z
work_keys_str_mv AT lujieli ironcatalyzedalkynealkylzincationaffectedbycounterions
AT qiaozhang ironcatalyzedalkynealkylzincationaffectedbycounterions
AT penghe ironcatalyzedalkynealkylzincationaffectedbycounterions
AT mingyaohuang ironcatalyzedalkynealkylzincationaffectedbycounterions
AT shoufeizhu ironcatalyzedalkynealkylzincationaffectedbycounterions