Abstract
The AM1 quantum-chemical semi-empirical method was used to calculate the values of the enthalpy of activation (ΔΔH#), the heats of reaction (ΔΔH), and the tautomeric equilibrium constants (KT) for several α-substituted pyridines. It was found that the keto-enol tautomeric conversion in α-pyridone occurs more readily than the amino-imino conversion in 2-aminopyridine but in 2-methylpyridine the tautomeric equilibrium does not exist at all.
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Kereselidze, J.A., Zarkua, T.S. Features of the Tautomerism of Some α-Substituted Pyridines. Chemistry of Heterocyclic Compounds 36, 1161–1163 (2000). https://doi.org/10.1023/A:1002860430962
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DOI: https://doi.org/10.1023/A:1002860430962