3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerization.
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.
Abarca
Belén
B
Departamento de Química Orgánica, Facultad de Farmacia, Universidad de Valencia, Spain. Belen.Abarca@uv.es
Alkorta
Ibon
I
Ballesteros
Rafael
R
Blanco
Fernando
F
Chadlaoui
Mimoun
M
Elguero
José
J
Mojarrad
Fatemeh
F
D004583:Electrons; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D011725:Pyridines / Q000737:chemistry*
D011725:Pyridines