6533b855fe1ef96bd12aff7b

RESEARCH PRODUCT

3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerization

José ElgueroBelén AbarcaFernando BlancoMimoun ChadlaouiFatemeh MojarradIbon AlkortaRafael Ballesteros

subject

Models MolecularMagnetic Resonance SpectroscopyPyridinesChemistryOrganic ChemistryMolecular ConformationElectronsRing (chemistry)BiochemistryIsomerismChain (algebraic topology)Computational chemistryProton NMRPhysical and Theoretical ChemistryIsomerizationElectronic properties

description

An experimental (1H 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. © The Royal Society of Chemistry 2005.

yearjournalcountryeditionlanguage
2005-10-22
10.1039/b510535hhttp://hdl.handle.net/10261/73897