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Cross-Coupling Strategies for the Synthesis of Functionalized Organic Compounds

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: 31 August 2026 | Viewed by 2127

Special Issue Editors


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Guest Editor
State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China
Interests: organic chemistry; methodology; nickel catalysis; cross-coupling; alkene chemistry; reductive functionalization

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Guest Editor Assistant
Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
Interests: cross-coupling; amination; carbonylation; organic synthesis; transition-metal catalysis; metal complexes; copper catalysis; palladium catalysis; manganese catalysis

Special Issue Information

Dear Colleagues,

Despite remarkable advancements in science and technology, global challenges such as energy crises, environmental pollution, and health concerns persist. Functional molecules play a critical role in addressing these issues, driving progress in renewable energy, precision medicine, and advanced materials. Central to these innovations are transition metal-catalyzed cross-coupling reactions, which have revolutionized the field of organic synthesis.

In the latter half of the 20th century, palladium-catalyzed cross-coupling reactions, such as Kumada, Heck, Sonogashira, Negishi, Stille, and Suzuki–Miyaura, revolutionized organic synthesis, becoming indispensable tools in the synthesis of pharmaceuticals, advanced materials, and fine chemicals. The Buchwald–Hartwig amination, introduced in the late 20th century, expanded the versatility of cross-coupling chemistry, enabling efficient C–N bond formation. More recently, nickel-catalyzed reductive cross-coupling has addressed limitations of traditional methods,  offering a cost-effective and versatile approach for forming C–C and C–heteroatom bonds. Alongside these developments, there has been a growing focus on sustainable practices in synthetic chemistry, leading to the emergence of metal-free coupling methodologies, photoredox, and electrocatalysis.

The continuous development of new catalysts, ligands, and strategies has expanded the scope of cross-coupling reactions, enhancing efficiency, sustainability, and substrate diversity. This Special Issue is dedicated to the latest advances and future directions in cross-coupling chemistry. We hereby extend an invitation to researchers to submit original research articles, reviews, and perspectives covering topics such as the following:

  • Development of next-generation catalysts for cross-coupling reactions;
  • Design and application of novel coupling reagents;
  • Activation of inert bonds in cross-coupling: new strategies and mechanistic insights;
  • Cross-coupling in continuous flow systems;
  • Bioconjugation via cross-coupling chemistry;
  • Innovation of cross-coupling strategies;
  • Bioconjugation and late-stage functionalization via cross-coupling methods;
  • Stereo- and enantio-selective cross-coupling reactions;
  • Emerging cross-coupling approaches using earth-abundant metals;
  • Photoredox, electrochemical, and enzymatic cross-coupling methods;
  • Applications of cross-coupling in total synthesis, drug discovery, and materials science;
  • Green and sustainable cross-coupling methodologies;
  • Scaling up cross-coupling: from laboratory to industrial processes;
  • Integration of artificial intelligence and machine learning of coupling reactions;
  • Mechanistic investigation and computational approaches in cross-coupling reactions.

This collection seeks to foster interdisciplinary collaboration, driving innovations in energy technologies, biomedical research, and materials science. It also aims to push the boundaries of functional molecule synthesis to shape the future of science and technology.

Dr. Xiaobo Pang
Guest Editor

Dr. Han-jun Ai
Guest Editor Assistant

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • cross-coupling
  • transition metal catalysis
  • palladium catalysis
  • copper catalysis
  • nickel catalysis
  • C–N bond formation
  • C–C bond formation
  • photoredox
  • electrochemistry
  • organic synthesis
  • functionalized molecules
  • catalytic mechanisms
  • green chemistry

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Published Papers (2 papers)

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Research

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11 pages, 2835 KB  
Article
Cobalt-Catalyzed C–Se Bond Activation: Cross-Coupling of Organoselenides with Grignard Reagents
by Tais V. de Souza Pinto, Kamilly D. V. P. Sobrinho, Maria E. C. da Silva, Sandynara A. de Oliveira, Andreia P. V. de Jesus, Tereza A. N. Ribeiro, Leonardo G. de Vasconcelos, Paulo T. de Sousa Júnior, Sumbal Saba, Jamal Rafique and André L. Stein
Molecules 2025, 30(21), 4232; https://doi.org/10.3390/molecules30214232 - 30 Oct 2025
Cited by 1 | Viewed by 997
Abstract
Herein, we report a cobalt-catalyzed cross-coupling of organoselenides with Grignard reagents using simple CoCl2 as the catalyst. This efficient method accommodates a broad scope of selenides, including vinyl, aryl, heteroaryl, and alkynyl derivatives, under mild and ligand-free conditions. Remarkably, the reaction proceeds [...] Read more.
Herein, we report a cobalt-catalyzed cross-coupling of organoselenides with Grignard reagents using simple CoCl2 as the catalyst. This efficient method accommodates a broad scope of selenides, including vinyl, aryl, heteroaryl, and alkynyl derivatives, under mild and ligand-free conditions. Remarkably, the reaction proceeds efficiently without additives and afforded the desired products in moderate to good yields within just 3 h. Full article
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Review

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23 pages, 7078 KB  
Review
Progress on Suzuki–Miyaura Cross-Coupling Reactions Promoted by Palladium–Lanthanide Coordination Polymers as Catalytic Systems
by Fu Ding, Ileana Dragutan, Lixin You, Yaguang Sun and Valerian Dragutan
Molecules 2026, 31(2), 378; https://doi.org/10.3390/molecules31020378 - 21 Jan 2026
Viewed by 609
Abstract
Lanthanide coordination polymers have been developed at a fast rate during the past two decades due to their appealing applications in the modern field of materials science and emerging technologies like luminescence, magnetism, sensing, gas adsorption, and catalysis. The role of lanthanides in [...] Read more.
Lanthanide coordination polymers have been developed at a fast rate during the past two decades due to their appealing applications in the modern field of materials science and emerging technologies like luminescence, magnetism, sensing, gas adsorption, and catalysis. The role of lanthanides in imparting specific properties to the coordination polymers has been fully documented in extensive studies carried out by numerous research groups. It has been shown that because lanthanide(III) ions possess a variable coordination number, they readily build two-dimensional and three-dimensional architectures with definite channels, permanent pores, and distinct surface areas. Due to their strong oxophilic propensity and hard Lewis acid character, lanthanides favor the construction of stable coordination polymers and MOF configurations by strongly binding the coordinating groups of the organic linkers. Associated with palladium complexes, the lanthanide ions provide synergistic effects with Lewis acid sites, beneficial to the catalytic activity. These attractive characteristics of lanthanides enabled them to be fruitfully applied in Pd-Ln coordination polymers with catalytic properties. This review covers an array of Pd-Ln coordination polymers applied as heterogeneous catalysts in Suzuki–Miyaura C(sp2)-C(sp2) cross-coupling reactions. The activity and chemoselectivity of Pd(II) ions and Pd nanoparticles associated in coordination polymers with different lanthanides from a selected array of rare earth elements (Eu, Sm, Eu, Gd, Pr, Nd, Ce, La, or Tb) is discussed. High yields (>99%) are attained under optimized reaction conditions. The specific role of lanthanides and organic ligands in creating sustainable and recyclable heterogeneous Pd catalysts is evidenced. Mechanistic aspects of the C(sp2)-C(sp2) cross-coupling reactions are considered. The synergistic interaction between lanthanides and palladium as well as with the organic ligands is highlighted. Full article
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