Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine [PDF]
Molecules, 2023 Density functional calculations SMD(chloroform)//B3LYP/6-311+G(2d,p) were employed in the computational study of 1,3-dipolar cycloadditions of azides with guanidine.
Ivana Antol +2 more
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Dynamic Catalytic Highly Enantioselective 1,3-Dipolar Cycloadditions. [PDF]
Angew Chem Int Ed Engl, 2021 AbstractIn dynamic covalent chemistry, reactions follow a thermodynamically controlled pathway through equilibria. Reversible covalent‐bond formation and breaking in a dynamic process enables the interconversion of products formed under kinetic control to thermodynamically more stable isomers.
Yildirim O +5 more
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Facile generation of bridged medium-sized polycyclic systems by rhodium-catalysed intramolecular (3+2) dipolar cycloadditions [PDF]
Nature Communications, 2021 The bridged medium-sized ring bicyclo[m.n.2] family of natural products are commonly found but difficult to synthesize efficiently. Here the authors present a cascade reaction to form the carbon skeleton, via a [3+2] cycloaddition of a captured azavinyl ...
Bao-Long Hou +5 more
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Green Protocols in Heterocycle Syntheses via 1,3-Dipolar Cycloadditions [PDF]
Frontiers in Chemistry, 2019 The aim of this review is to provide an overview of green protocols for the organic synthesis of heterocycles via 1,3-dipolar cycloaddition. Particular attention has been devoted to the use of green solvents; reactions performed in ionic liquids ...
Katia Martina +4 more
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Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as “Octet” 1,3-Dipoles [PDF]
Scientific Reports, 2017 Theoretical calculations at the G4MP2 level of theory demonstrate that it is possible to activate dinitrogen to make it react in dipolar cycloadditions using neutral beryllium derivatives and other neutral metallic compounds.
M. Merced Montero-Campillo +2 more
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Understanding the 1,3-Dipolar Cycloadditions of Allenes. [PDF]
Chemistry, 2020 AbstractWe have quantum chemically studied the reactivity, site‐, and regioselectivity of the 1,3‐dipolar cycloaddition between methyl azide and various allenes, including the archetypal allene propadiene, heteroallenes, and cyclic allenes, by using density functional theory (DFT).
Yu S +4 more
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Huisgen [3 + 2] Dipolar Cycloadditions of Phthalazinium Ylides to Activated Symmetric and Non-Symmetric Alkynes [PDF]
Molecules, 2020 We present herein a straightforward and efficient pathway for the synthesis of pyrrolophthalazine cycloadducts via Huisgen [3 + 2] dipolar cycloaddition reactions of phthalazinium ylides to methyl propiolate or dimethyl acetylenedicarboxylate (DMAD).
Vasilichia Antoci +4 more
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Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions [PDF]
Beilstein Journal of Organic Chemistry, 2014 An operationally simple, convenient, and mild strategy for the synthesis of triazole-substituted titanocenes via strain-driven 1,3-dipolar cycloadditions between azide-functionalized titanocenes and cyclooctyne has been developed.
Andreas Gansäuer +5 more
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Decarboxylation-Driven Double Annulations: Innovative Multi-Component Reaction Pathways [PDF]
MoleculesA concerted five-component reaction strategy has been developed, featuring double [3+2] cycloadditions utilizing aspartic acid. This approach provides valuable insights into mechanistic pathways, allowing for the distinction between concerted and ...
Desheng Zhan +4 more
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Transition-state aromaticity and its relationship with reactivity in pericyclic reactions [PDF]
Beilstein Journal of Organic ChemistryThe influence of transition-state aromaticity on the barrier heights of concerted pericyclic reactions is summarized herein. To this end, selected representative examples ranging from fundamental processes such as Diels–Alder or Alder–ene reactions to ...
Israel Fernández
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