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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: 30 November 2025 | Viewed by 31

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

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

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

This special issue is now open for submission.
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