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2016•RSC AdvancesRequires access

A quantum chemical approach towards understanding stability and tautomerism of 2-imino-2H-pyran derivatives

Maria A. Vodolazhenko, Nikolay Yu. Gorobets, O. A. Zhikol, Sergey M. Desenko, Олег В. Шишкин

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Abstract

The ring-chain tautomerism of 2-imino-2 H -pyran derivatives annelated with an aromatic or aliphatic ring and their transformation into corresponding 2-pyridons were studied based on the relative stabilities of two series of model isomers calculated by the DFT method.

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The ring-chain tautomerism of 2-imino-2 H -pyran derivatives annelated with an aromatic or aliphatic ring and their transformation into corresponding 2-pyridons were studied based on the relative stabilities of two series of model isomers calculated by the DFT method.

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Available abstract

The ring-chain tautomerism of 2-imino-2 H -pyran derivatives annelated with an aromatic or aliphatic ring and their transformation into corresponding 2-pyridons were studied based on the relative stabilities of two series of model isomers calculated by the DFT method.

Key concepts: Tautomer, Pyran, Ring (chemistry), Chemistry, Quantum chemical, Computational chemistry, Transformation (genetics), Medicinal chemistry

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