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Advances in Transition-Metal-Catalyzed Synthesis
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Advances in Transition-Metal-Catalyzed Synthesis

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

Deadline for manuscript submissions: 30 June 2024 | Viewed by 2316

Special Issue Editor

Dr. Alexey G. Sergeev

E-Mail Website
Guest Editor
Department of Chemistry, University of Liverpool, Crown Street, Liverpool L69 7ZD, UK
Interests: organic chemistry; organometallic chemistry; transition metals; catalysis; C-H activation; C-C activation; reaction mechanisms

Special Issue Information

Dear Colleagues,

Transition-metal catalysis has revolutionized organic synthesis: dramatically improved rates, yields and selectivities of known reactions and enabled new reactivities previously deemed inconceivable. It became indispensable for the synthesis of a broad range of valuable organic molecules spanning from simple synthetic building blocks to natural products, pharmaceuticals, organic electronics and polymers. The application of transition metal catalysis led to milder reaction conditions, fewer reaction steps and side products. As a result, the synthesis became cleaner, safer as well as less energy and time intensive.

Despite the tremendous progress made recently, a lot of challenges remain on the way to designing new and improving existing synthetically useful catalytic transformations, developing more active and stable catalysts, as well as applying catalytic methods to the synthesis of complex organic molecules. This Special Issue focuses on some recent advances towards addressing these challenges.

Dr. Alexey G. Sergeev
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. 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

  • homogeneous catalysis
  • transition metals
  • organic synthesis
  • asymmetric synthesis
  • selectivity
  • C-C bond formation
  • C-X bond formation
  • C-H functionalisation
  • C-X functionalisation

Published Papers (3 papers)

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Research

15 pages, 10002 KiB  
Article
Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study
by Tao Yu, Jingxuan Zhang, Guo Liu, Liangfei Duan, Kun V. Tian, Gregory A. Chass and Weihua Mu
Molecules 2024, 29(7), 1475; https://doi.org/10.3390/molecules29071475 - 26 Mar 2024
Viewed by 403
Abstract
Density functional theory (DFT) characterizations were employed to resolve the structural and energetic aspects and product selectivities along the mechanistic reaction paths of the nickel-catalyzed three-component unsymmetrical bis-allylation of alkynes with alkenes. Our putative mechanism initiated with the in situ generation of the [...] Read more.
Density functional theory (DFT) characterizations were employed to resolve the structural and energetic aspects and product selectivities along the mechanistic reaction paths of the nickel-catalyzed three-component unsymmetrical bis-allylation of alkynes with alkenes. Our putative mechanism initiated with the in situ generation of the active catalytic species [Ni(0)L2] (L = NHC) from its precursors [Ni(COD)2, NHC·HCl] to activate the alkyne and alkene substrates to form the final skipped trienes. This proceeds via the following five sequential steps: oxidative addition (OA), β-F elimination, ring-opening complexation, C-B cleavage and reductive elimination (RE). Both the OA and RE steps (with respective free energy barriers of 24.2 and 24.8 kcal·mol−1) contribute to the observed reaction rates, with the former being the selectivity-controlling step of the entire chemical transformation. Electrophilic/nucleophilic properties of selected substrates were accurately predicted through dual descriptors (based on Hirshfeld charges), with the chemo- and regio-selectivities being reasonably predicted and explained. Further distortion/interaction and interaction region indicator (IRI) analyses for key stationary points along reaction profiles indicate that the participation of the third component olefin (allylboronate) and tBuOK additive played a crucial role in facilitating the reaction and regenerating the active catalyst, ensuring smooth formation of the skipped triene product under a favorably low dosage of the Ni(COD)2 catalyst (5 mol%). Full article
(This article belongs to the Special Issue Advances in Transition-Metal-Catalyzed Synthesis)
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12 pages, 5847 KiB  
Article
Copper Complexes with N,N,N-Tridentate Quinolinyl Anilido-Imine Ligands: Synthesis and Their Catalytic Application in Chan−Lam Reactions
by Xiaoyu Zhou, Jiaxin Yang, Zhiqiang Hao, Zhangang Han, Jin Lin and Guo-Liang Lu
Molecules 2023, 28(21), 7406; https://doi.org/10.3390/molecules28217406 - 03 Nov 2023
Viewed by 759
Abstract
The treatment of 2-(ArNC(H))C6H4-HNC9H6N with n-BuLi and the subsequent addition of CuCl2 afforded the anilido-aldimine Cu(II) complexes 1-5 Cu[{2-[ArN=C(H)]C6H4}N(8-C9H6N)]Cl (Ar = 2,6-i [...] Read more.
The treatment of 2-(ArNC(H))C6H4-HNC9H6N with n-BuLi and the subsequent addition of CuCl2 afforded the anilido-aldimine Cu(II) complexes 1-5 Cu[{2-[ArN=C(H)]C6H4}N(8-C9H6N)]Cl (Ar = 2,6-iPr2C6H3 (1), 2,4,6-(CH3)3C6H2 (2), 4-OCH3C6H4 (3), 4-BrC6H4 (4), 4-ClC6H4 (5)), respectively. All the copper complexes were fully characterized by IR, EPR and HR-MS spectra. The X-ray diffraction analysis reveals that 2 and 4 are mononuclear complexes, and the Cu atom is sitting in a slightly square-planar geometry. These Cu(II) complexes have exhibited excellent catalytic activity in the Chan–Lam coupling reactions of benzimidazole derivatives with arylboronic acids, achieving the highest yields of up to 96%. Full article
(This article belongs to the Special Issue Advances in Transition-Metal-Catalyzed Synthesis)
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9 pages, 2594 KiB  
Communication
Copper-Promoted Intramolecular Oxidative Dehydrogenation for Synthesizing Dihydroisocoumarins and Isocoumarins
by Qiang Zhang, Lin-Yan Zhang and Xian-Ying Shi
Molecules 2023, 28(17), 6319; https://doi.org/10.3390/molecules28176319 - 29 Aug 2023
Viewed by 797
Abstract
Isocoumarins and dihydroisocoumarins are important skeletons with a wide range of biological activities, such as anti-bacterial, anti-allergy, anti-fungal, anti-tumor, and anti-HIV properties. Herein, we demonstrated divergent syntheses of isocoumarins and 3,4-dihydroisocoumarins by intramolecular dehydrogenative cyclization of 2-(3-oxobutyl) benzoic acids. This transformation undergoes C [...] Read more.
Isocoumarins and dihydroisocoumarins are important skeletons with a wide range of biological activities, such as anti-bacterial, anti-allergy, anti-fungal, anti-tumor, and anti-HIV properties. Herein, we demonstrated divergent syntheses of isocoumarins and 3,4-dihydroisocoumarins by intramolecular dehydrogenative cyclization of 2-(3-oxobutyl) benzoic acids. This transformation undergoes Csp3–H bonds and O–H bonds coupling in air using copper salt. The reactions may undergo free radical process. Full article
(This article belongs to the Special Issue Advances in Transition-Metal-Catalyzed Synthesis)
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