A quantum-chemical study of regioselectivity of indolization of some unsymmetrical ketone phenylhydrazones |
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| Authors: | J A Kereselidze N I Raevskii Yu A Borisov |
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| Institution: | (1) I.Dzhavakhishvili Tbilisi State University, 380028 Tbilisi, Georgia;(2) A.N.Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 117813 Moscow, Russian Federation |
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| Abstract: | The heat of formation ( H
f) of unsymmetrical ketone phenylhydrazones and their enehydrazine tautomers was calculated by the semi-empirical quantum-chemical AM1 method. It is concluded that from H
f values it is possible to judge the regioselectivity of indolization of unsymmetrical ketone phenylhydrazones.Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 1, pp. 220–221, January, 1993. |
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| Keywords: | quantum-chemical calculation heat of formation regioselectivity indolization reaction unsymmetrical ketone phenylhydrazones |
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