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Methods and Applications of Cycloaddition Reactions

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

Deadline for manuscript submissions: 31 August 2025 | Viewed by 844

Special Issue Editor


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Guest Editor
Department of Organic Chemistry and Technology, Cracow University of Technology, 24 Warszawska St, 31-155 Cracow, Poland
Interests: cycloaddition reactions; heterocycles; nitrocompounds; reaction mechanisms; regio- and stereoselectivity; DFT calculations; molecular electron density theory (MEDT)

Special Issue Information

Dear Colleagues,

Cycloaddition reactions provide a powerful tool for the synthesis of a wide range of carbo- and heterocyclic molecular systems. The resulting compounds often exhibit unique properties that enable their application across various fields, including polymer chemistry, materials science, and medicinal chemistry, where their bioactivity plays a crucial role.

Most cycloaddition processes proceed with high yields and selectivity. Moreover, reaction conditions can be optimized to minimize byproduct formation, aligning well with the principles of green chemistry.

This Special Issue on “Methods and Applications of Cycloaddition Reactions” aims to highlight various aspects of cycloaddition reactions, including both methodological advancements and practical applications of the obtained products. We particularly encourage the submission of experimental studies detailing innovative approaches to conducting cycloaddition reactions.

Additionally, we welcome theoretical studies focusing on electron density analysis applied to synthetic strategies, reaction mechanisms, and the prediction of biological properties of the obtained compounds. Review articles authored by experts in the field will also be highly appreciated.

We look forward to your contributions.

Dr. Agnieszka Łapczuk
Guest Editor

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Keywords

  • cycloaddition reactions
  • organic synthesis
  • quantum–chemical calculations
  • cycloaddition in medicinal chemistry
  • cycloaddition in polymer chemistry
  • cycloaddition in materials science
  • bioactive compounds
  • click chemistry

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Published Papers (1 paper)

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Research

25 pages, 5183 KiB  
Article
A Comprehensive Study of the Synthesis, Spectral Characteristics, Quantum–Chemical Molecular Electron Density Theory, and In Silico Future Perspective of Novel CBr3-Functionalyzed Nitro-2-Isoxazolines Obtained via (3 + 2) Cycloaddition of (E)-3,3,3-Tribromo-1-Nitroprop-1-ene
by Karolina Zawadzińska-Wrochniak, Karolina Kula, Mar Ríos-Gutiérrez, Bartłomiej Gostyński, Tomasz Krawczyk and Radomir Jasiński
Molecules 2025, 30(10), 2149; https://doi.org/10.3390/molecules30102149 - 13 May 2025
Cited by 1 | Viewed by 548
Abstract
The search for new heterocyclic compounds with biological potential is one of the current challenges in modern chemistry. Therefore, the comprehensive study of (3 + 2) cycloaddition (32CA) reactions between a series of aryl-substituted nitrile N-oxides (NOs) and (E)-3,3,3-tribromo-1-nitroprop-1-ene (TBNP) is [...] Read more.
The search for new heterocyclic compounds with biological potential is one of the current challenges in modern chemistry. Therefore, the comprehensive study of (3 + 2) cycloaddition (32CA) reactions between a series of aryl-substituted nitrile N-oxides (NOs) and (E)-3,3,3-tribromo-1-nitroprop-1-ene (TBNP) is carried out. According to the experimental research, in all tested 32CAs, the proper (4RS,5RS)-3-aryl-4-nitro-5-tribromomethyl-2-isoxazolines are obtained as only one reaction product. In turn, the quantum–chemical MEDT study shows that the creation of heterocycles occur via the polar attack of zwitterionic moderate-nucleophilic NOs to strong electrophilic TBNP. The reactions are realized according to a two-stage, one-step asynchronous mechanism, in which the formation of the O-C(CBr3) bond takes place once the C-C(NO2) bond is already formed. What is more, the computational analysis confirmed the experimental results. At the end, the obtained 2-isoxazolines were docked to three proteins: gelatinase B, cyclooxygenase COX-1, and Caspase-7. We hope that the presented study will be helpful for searching for the future direction of application for this class of organic compounds. Full article
(This article belongs to the Special Issue Methods and Applications of Cycloaddition Reactions)
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