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Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials

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 3008

Special Issue Editors

Prof. Dr. Zhaoyang Wang

E-Mail Website
Guest Editor
School of Chemistry, South China Normal University, Guangzhou, China
Interests: synthesis; organic synthesis; nanoparticle; fluorescent dye; aggregation-induced emission; synthetic organic chemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Jiuzhong Huang

E-Mail Website
Guest Editor Assistant
School of Pharmacy, Gannan Medical University, Ganzhou, China
Interests: transition-metal catalysis; organic boron chemistry

Special Issue Information

Dear Colleague,

This Special Issue, entitled "Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials", serves as a comprehensive platform for introducing the intricate world of organic synthesis chemistry. It sheds light on the latest advancements and multifaceted applications within this domain, highlighting the intricate art and science that shapes the molecular world. This curated collection dives deep into the latest advancements, innovative strategies, and pivotal challenges in the field, thereby illuminating the profound impact of organic synthesis.

One of the primary focuses of this Special Issue is the exploration of novel organic synthetic methods, which underpin the field and enable the precise and controlled construction of complex molecular architectures. The strategic incorporation of organic synthesis not only enhances reactivity but also opens up new avenues for synthesizing pharmaceuticals, agrochemicals, and materials. Furthermore, this Special Issue delves into the fascinating realm of advanced organic synthesis technologies, which have garnered significant attention due to their exceptional properties and wide-ranging applications, including organic photosynthesis, organic electrochemical synthesis, biocatalysis, AI-based organic synthesis, etc.

In summary, this Special Issue exemplifies the dynamic and continually evolving nature of organic synthesis chemistry. It showcases the ingenuity and creativity of researchers as they push the boundaries of knowledge and explore the vast potential of this field. We welcome submissions of research articles, review articles, and short communications related to this exciting field.

Prof. Dr. Zhaoyang Wang
Guest Editor

Dr. Jiuzhong Huang
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

  • organic synthetic methods
  • synthesize pharmaceuticals, agrochemicals, and materials
  • organic photosynthesis
  • organic electrochemical synthesis
  • biocatalysis
  • AI-based organic synthesis

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (5 papers)

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Research

21 pages, 7350 KiB  
Article
Design, Synthesis, and Biological Evaluation of 5,8-Dimethyl Shikonin Oximes as SARS-CoV-2 Mpro Inhibitors
by Jiahua Cui, Shouyan Xiang, Qijing Zhang, Shangqing Xiao, Gaoyang Yuan, Chenwu Liu and Shaoshun Li
Molecules 2025, 30(6), 1321; https://doi.org/10.3390/molecules30061321 - 14 Mar 2025
Viewed by 418
Abstract
We have designed, synthesized, and characterized a small library of shikonin derivatives and demonstrated their inhibitory activity against the main protease, Mpro, of SARS-CoV-2. One analog, 5,8-dimethyl shikonin oxime (15), exhibited the highest activity against SARS-CoV-2 Mpro with [...] Read more.
We have designed, synthesized, and characterized a small library of shikonin derivatives and demonstrated their inhibitory activity against the main protease, Mpro, of SARS-CoV-2. One analog, 5,8-dimethyl shikonin oxime (15), exhibited the highest activity against SARS-CoV-2 Mpro with an IC50 value of 12.53 ± 3.59 μM. It exhibited much less toxicity as compared with the parent compound, shikonin, in both in vitro and in vivo models. Structure–activity relationship analysis indicated that the oxime moieties on the naphthalene ring and the functional groups attached to the oxygen atom on the side chain play a pivotal role in enzymatic inhibitory activity. Molecular docking results implied that the inhibitor 15 is perfectly settled in the core of the substrate-binding pocket of Mpro by possibly interacting with three catalytic residues, His41, Cys145, and Met165. Overall, the shikonin oxime derivative 15 deserves further investigation as an antiviral agent against SARS-CoV-2. Full article
(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials)
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14 pages, 1318 KiB  
Article
Novel One-Step Total Synthesis of trans-Dehydroosthol and Citrubuntin
by Zhiwen Liu, Baoyue Ge, Xushun Gong, Fusheng Wang, Ting Lei and Shizhi Jiang
Molecules 2025, 30(5), 1067; https://doi.org/10.3390/molecules30051067 - 26 Feb 2025
Viewed by 268
Abstract
Efficient and simple syntheses of trans-dehydroosthol and citrubuntin were achieved in a single step by implementing a protecting-group-free, redox-neutral strategy that utilized readily available starting materials. In this approach, a practical one-pot (domino) Heck/dehydration reaction was carried out utilizing less reactive bromocoumarin, [...] Read more.
Efficient and simple syntheses of trans-dehydroosthol and citrubuntin were achieved in a single step by implementing a protecting-group-free, redox-neutral strategy that utilized readily available starting materials. In this approach, a practical one-pot (domino) Heck/dehydration reaction was carried out utilizing less reactive bromocoumarin, resulting in excellent stereoselectivity and atomic economy. Through the implementation of this new, efficient, and scalable synthesis method, the formal synthesis of a series of novel meroterpenoid natural products was successfully achieved. Full article
(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials)
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Graphical abstract

9 pages, 7658 KiB  
Article
N,N-Dimethylformamide’s Participation in Domino Reactions for the Synthesis of Se-Phenyl Dimethylcarbamoselenoate Derivatives
by Runsheng Xu, Shenhuanran Hu, Luhui Wu, Yifan Ning and Jin Xu
Molecules 2025, 30(3), 747; https://doi.org/10.3390/molecules30030747 - 6 Feb 2025
Viewed by 558
Abstract
N,N-dimethylformamide’s (DMF) participation in domino reactions has been developed. Starting from substituted halogenobenzenes and selenium powder, versatile biologically active Se-phenyl dimethylcarbamoselenoate derivatives were efficiently synthesized under mild reaction conditions. The reaction mechanism was studied using control experiments. These protocols involve [...] Read more.
N,N-dimethylformamide’s (DMF) participation in domino reactions has been developed. Starting from substituted halogenobenzenes and selenium powder, versatile biologically active Se-phenyl dimethylcarbamoselenoate derivatives were efficiently synthesized under mild reaction conditions. The reaction mechanism was studied using control experiments. These protocols involve a wider substrate scope and provide an economical approach toward C–selenium bond formation. Full article
(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials)
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Scheme 1

16 pages, 2650 KiB  
Article
Hydrogen-Bonded Di(hydroperoxy)alkane Adducts of the Type Cy3P=O·(HOO)2CHR (R = Alkyl)
by Rahym Ashirov, Maya Todorovic, Nattamai Bhuvanesh and Janet Blümel
Molecules 2025, 30(2), 329; https://doi.org/10.3390/molecules30020329 - 15 Jan 2025
Viewed by 703
Abstract
Five representatives of a novel type of di(hydroperoxy)alkane adducts of phosphine oxides have been synthesized and fully characterized, including their solubility in organic solvents. The phosphine oxide Cy3PO (1) has been used in combination with the corresponding aldehydes to [...] Read more.
Five representatives of a novel type of di(hydroperoxy)alkane adducts of phosphine oxides have been synthesized and fully characterized, including their solubility in organic solvents. The phosphine oxide Cy3PO (1) has been used in combination with the corresponding aldehydes to create the adducts Cy3PO·(HOO)2CHCH3 (2), Cy3PO·(HOO)2CHCH2CH3 (3), Cy3PO·(HOO)2CH(CH2)2CH3 (4), Cy3PO·(HOO)2CH(CH2)3CH3 (5), and Cy3PO·(HOO)2CH(CH2)7CH3 (6). All adducts crystallize easily and contain the peroxide and phosphine oxide hydrogen-bonded in 1:1 ratios. The single crystal X-ray structures of 2–6 and their unique features are discussed. The 31P NMR spectra of the adducts 2–6 show downfield-shifted signals as compared to Cy3PO. In the IR spectra, the ν(P=O) wavenumbers of the adducts have smaller values than the neat phosphine oxide. All spectroscopic results of 2–6 show that the P=O bond is weakened by hydrogen-bonding to the di(hydroperoxy)alkane moieties. Adduct 6 selectively oxidizes PPh3 to OPPh3 within minutes, and nonanal is reformed in the process. The easy synthesis, handling, and administration of these stable, solid, and soluble peroxides with well-defined composition will have a positive impact on synthetic chemistry. Full article
(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials)
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8 pages, 2563 KiB  
Communication
Molybdenum-Catalyzed (E)-Selective Anti-Markovnikov Hydrosilylation of Alkynes
by Feihua Ye, Zhaoyang Huang, Jiahao Li, Qiumin Wang, Lihuan Wu and Xiang Li
Molecules 2024, 29(24), 5952; https://doi.org/10.3390/molecules29245952 - 17 Dec 2024
Cited by 1 | Viewed by 625
Abstract
Herein, we report the first example of molybdenum-catalyzed (E)-Selective anti-Markovnikov hydrosilylation of alkynes. The reaction operates effectively with the utilization of minute amounts of the inexpensive, bench-stable pre-catalyst and ligand under mild conditions. Moreover, this molybdenum-catalyzed hydrosilylation process features the advantages [...] Read more.
Herein, we report the first example of molybdenum-catalyzed (E)-Selective anti-Markovnikov hydrosilylation of alkynes. The reaction operates effectively with the utilization of minute amounts of the inexpensive, bench-stable pre-catalyst and ligand under mild conditions. Moreover, this molybdenum-catalyzed hydrosilylation process features the advantages of simple operation, excellent selectivity, and broad functional groups tolerance. Full article
(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials)
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