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Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications
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Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (29 February 2024) | Viewed by 6779

Special Issue Editor

Dr. Maxim V. Musalov

E-Mail Website
Guest Editor
A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Division of the Russian Academy of Sciences, 1 Favorsky Str., 664033 Irkutsk, Russia
Interests: organometallic compounds; selenium; tellurium; unsaturated organochalcogen compounds; heterocyclic compounds; functionalization; chalcogen annelation reactions
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

A considerable amount of modern drugs contain heterocyclic moieties, and the chemistry of heterocyclic compounds has played a significant role in the development of pharmaceutical chemistry and the discovery of new drugs.

This Special Issue is focused on the recent advances in the chemistry of heterocyclic and heteroatom compounds. Original research articles and reviews reporting on the design, synthesis, functionalization and application of heterocyclic and heteroatom compounds are welcome. Particular attention will be paid to the development of new methodologies and advanced synthetic approaches, as well as the design and synthesis of biologically active compounds. I hope that the published results on the latest achievements and advanced developments in the field of chemistry of heterocyclic and heteroatom compounds will arouse great interest among the readers of the International Journal of Molecular Sciences.

Dr. Maxim V. Musalov
Guest Editor

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • heterocyclic chemistry
  • heteroatom compounds
  • design
  • new methodology
  • synthesis
  • bioactive compounds
  • advanced approach
  • applications
  • functionalization

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Published Papers (4 papers)

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Research

27 pages, 3674 KiB  
Article
Exploring Three Avenues: Chemo- and Regioselective Transformations of 1,2,4-Triketone Analogs into Pyrazoles and Pyridazinones
by Yulia O. Edilova, Ekaterina A. Osipova, Pavel A. Slepukhin, Victor I. Saloutin and Denis N. Bazhin
Int. J. Mol. Sci. 2023, 24(18), 14234; https://doi.org/10.3390/ijms241814234 - 18 Sep 2023
Cited by 1 | Viewed by 1431
Abstract
A convenient approach to substituted pyrazoles and pyridazinones based on 1,2,4-triketones is presented. Chemo- and regiocontrol in condensations of t-Bu, Ph-, 2-thienyl-, and CO2Et-substituted 1,2,4-triketone analogs with hydrazines are described. The direction of preferential nucleophilic attack was shown to be [...] Read more.
A convenient approach to substituted pyrazoles and pyridazinones based on 1,2,4-triketones is presented. Chemo- and regiocontrol in condensations of t-Bu, Ph-, 2-thienyl-, and CO2Et-substituted 1,2,4-triketone analogs with hydrazines are described. The direction of preferential nucleophilic attack was shown to be switched depending on the substituent nature in triketone as well as the reaction conditions. The acid and temperature effects on the selectivity of condensations were revealed. Regiochemistry of heterocyclic core formation was confirmed by NMR and XRD studies. The facile construction of heterocyclic motifs bearing acetyl and (or) carbethoxy groups suggests them as promising mono- or bifunctional building blocks for subsequent transformations. Full article
(This article belongs to the Special Issue Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications)
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13 pages, 4121 KiB  
Article
Is It Possible to Obtain a Product of the Desired Configuration from a Single Knoevenagel Condensation? Isomerization vs. Stereodefined Synthesis
by Daria Novikova, Tatyana Grigoreva, Vladislav Gurzhiy and Vyacheslav Tribulovich
Int. J. Mol. Sci. 2023, 24(14), 11339; https://doi.org/10.3390/ijms241411339 - 12 Jul 2023
Viewed by 1541
Abstract
The biological activity of compounds directly depends on the three-dimensional arrangement of affinity fragments since a high degree of pharmacophore compliance with the binding site is required. 3-Benzylidene oxindoles are privileged structures due to their wide spectrum of biological activity, synthetic availability, and [...] Read more.
The biological activity of compounds directly depends on the three-dimensional arrangement of affinity fragments since a high degree of pharmacophore compliance with the binding site is required. 3-Benzylidene oxindoles are privileged structures due to their wide spectrum of biological activity, synthetic availability, and ease of modification. In particular, both kinase inhibitors and kinase activators can be found among 3-benzylidene oxindoles. In this work, we studied model compounds obtained via oxindole condensation with aldehydes and alkylphenones. These condensation products can exist in the form of E- and Z-isomers and also undergo isomerization in solutions. The factors causing isomeric transformation of these compounds were established. Comparative kinetic studies to obtain quantitative characteristics of UV-driven isomerization were first performed. The results obtained indicate dramatic differences in two subclasses, which should be considered when developing biologically active molecules. Full article
(This article belongs to the Special Issue Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications)
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16 pages, 2026 KiB  
Article
Synthesis of 3-(Pyridin-2-yl)quinazolin-2,4(1H,3H)-diones via Annulation of Anthranilic Esters with N-pyridyl Ureas
by Svetlana O. Baykova, Kirill K. Geyl, Sergey V. Baykov and Vadim P. Boyarskiy
Int. J. Mol. Sci. 2023, 24(8), 7633; https://doi.org/10.3390/ijms24087633 - 21 Apr 2023
Cited by 7 | Viewed by 1620
Abstract
A new route for the synthesis of quinazolin-2,4(1H,3H)-diones and thieno [2,3-d]pyrimidine-2,4(1H,3H)-diones substituted by pyridyl/quinolinyl moiety in position 3 has been developed. The proposed method concluded in an annulation of substituted anthranilic esters or [...] Read more.
A new route for the synthesis of quinazolin-2,4(1H,3H)-diones and thieno [2,3-d]pyrimidine-2,4(1H,3H)-diones substituted by pyridyl/quinolinyl moiety in position 3 has been developed. The proposed method concluded in an annulation of substituted anthranilic esters or 2-aminothiophene-3-carboxylates with 1,1-dimethyl-3-(pyridin-2-yl) ureas. The process consists of the formation of N-aryl-N′-pyridyl ureas followed by their cyclocondensation into the corresponding fused heterocycles. The reaction does not require the use of metal catalysts and proceeds with moderate to good yields (up to 89%). The scope of the method is more than 30 examples, including compounds with both electron-withdrawing and electron-donating groups, as well as diverse functionalities. At the same time, strong electron-acceptor substituents in the pyridine ring of the starting ureas reduce the product yield or even prevent the cyclocondensation step. The reaction can be easily scaled to gram quantities. Full article
(This article belongs to the Special Issue Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications)
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13 pages, 2909 KiB  
Communication
Co-Catalyzed Asymmetric Hydrogenation. The Same Enantioselection Pattern for Different Mechanisms
by Ilya D. Gridnev
Int. J. Mol. Sci. 2023, 24(6), 5568; https://doi.org/10.3390/ijms24065568 - 14 Mar 2023
Cited by 4 | Viewed by 1595
Abstract
The mechanism of the recently reported catalyzed asymmetric hydrogenation of enyne 1 catalyzed by the Co-(R,R)-QuinoxP* complex was studied by DFT. Conceivable pathways for the Co(I)-Co(III) mechanism were computed together with a Co(0)-Co(II) catalytic cycle. It is commonly assumed [...] Read more.
The mechanism of the recently reported catalyzed asymmetric hydrogenation of enyne 1 catalyzed by the Co-(R,R)-QuinoxP* complex was studied by DFT. Conceivable pathways for the Co(I)-Co(III) mechanism were computed together with a Co(0)-Co(II) catalytic cycle. It is commonly assumed that the exact nature of the chemical transformations taking place along the actually operating catalytic pathway determine the sense and level of enantioselection of the catalytic reaction. In this work, two chemically different mechanisms reproduced the experimentally observed perfect stereoselection of the same handedness. Moreover, the relative stabilities of the transition states of the stereo induction stages were controlled via exactly the same weak disperse interactions between the catalyst and the substrate. Full article
(This article belongs to the Special Issue Heterocyclic and Heteroatom Compounds: Design, Synthesis, and Applications)
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