Correlation analysis of IR, 1 H NMR and UV spectral data of alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones. Part I

Abstract

Spectral characteristics of the two series of previously synthesized and identified 4,6-disubstituted-3-cyano-2-pyridones were determined, and corresponding 1 H NMR chemical shifts and IR and UV frequencies were correlated with LFER parameters. A variety of substituents were employed for both alkyl and aryl substitution, and fairly good correlations were obtained, using simple Hammett and Hammett-Taft dual parameter equations, as well as the more sophisticated multiparameter regression approaches. It was established that both polar and steric effects influence the spectra of the investigated compounds.