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
doaj +2 more sources
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
doaj +2 more sources
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
doaj +2 more sources
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
doaj +2 more sources
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
doaj +2 more sources
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
doaj +2 more sources
Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions [PDF]
ACS Omega, 2020 Yang Liu, Jun Li
doaj +2 more sources
[3+2] Cycloaddition of alkyl aldehydes and alkynes enabled by photoinduced hydrogen atom transfer
Nature Communications, 2022 In contrast to the prevalence of 1,3-dipolar cycloadditions, radical [3+2] annulations of alkynes are underexplored. Here, the authors describe [3+2] cycloadditions of various internal alkynes with readily accessible aliphatic aldehydes via photoinduced ...
Siya Le +6 more
doaj +1 more source
The Azide-Allene Dipolar Cycloaddition: Is DFT Able to Predict Site- and Regio-Selectivity?
Molecules, 2021 The site- and regio-selectivity of thermal, uncatalysed 1,3-dipolar cycloadditions between arylazides and mono- or tetra-substituted allenes with different electronic features have been investigated by both conceptual (reactivity indices) and ...
Giorgio Molteni, Alessandro Ponti
doaj +1 more source
Cycloadditions with 2-Chloro-1-Nitroethylene
CHIMIA, 1975 2-chloronitroethylene replaces successfully the still elusive unsubstituted nitroacetylene in both the 1,3-dipolar and Diels-Alder cycloadditions. These reactions generally afford interesting nitrated cyclic and heterocyclic compounds.
R. Verbruggen, H.G. Viehe
doaj +1 more source