Monatsh Chem 142, 731-742 (2011)

R. S. G. R. Seixas, A. M. S. Silva, I. Alkorta, J. Elguero

An experimental NMR and computational study of 4-quinolones and related compounds

We report the synthesis and structural study of eight compounds, either quinolin-4(1H)-ones or quinolines. Tautomerism as well as (E) → (Z) and rotational isomerism were studied both experimentally (¹H and ¹³C NMR) and theoretically [B3LYP/6-311++G(d,p)].