Home Research Molecular Properties of Heterocyclic Compounds Azoles J. Chil. Chem. Soc. 60, 2966-2970 (2015)

J. Chil. Chem. Soc. 60, 2966-2970 (2015)

I. Alkorta, J. Elguero

DOI: 10.4067/S0717-97072015000200022

The tautomerism of pyrazolines (dihydropyrazoles)

The exception to the rule that Δ3-pyrazolines are not stable unless both nitrogen atoms are substituted that has been recently published,Tetrahedron Lett. 55, 2208, (2014), has been proved false. By means of GIAO/B3LYP/6-311++G(d,p) calculations, it has been shown that the product is a pyrazole formed by rearrangement.