title: 3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerization.
abstract: An experimental ((1)H NMR) and theoretical (DFT) study of the ring-chain-ring isomerization of 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyrid-7-yl derivatives (A) into 6-{[1,2,3]triazolo[1,5-a]pyrid-3-yl}-2-pyridyl derivatives (B) has been carried out. Based on the calculations, a mechanism of several steps will be proposed. The experimental results as well as the calculations lead to the conclusion that the A-B ratio depends on the electronic properties of the substituents.
authors.affiliation: Departamento de Química Orgánica, Facultad de Farmacia, Universidad de Valencia, Spain. Belen.Abarca@uv.es
authors.forename: Belén
authors.initials: B
authors.lastname: Abarca
authors.forename: Ibon
authors.initials: I
authors.lastname: Alkorta
authors.forename: Rafael
authors.initials: R
authors.lastname: Ballesteros
authors.forename: Fernando
authors.initials: F
authors.lastname: Blanco
authors.forename: Mimoun
authors.initials: M
authors.lastname: Chadlaoui
authors.forename: José
authors.initials: J
authors.lastname: Elguero
authors.forename: Fatemeh
authors.initials: F
authors.lastname: Mojarrad
mesh_terms: D004583:Electrons; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D011725:Pyridines / Q000737:chemistry*
chemical_list: D011725:Pyridines