Theoretical estimation of the possibility of formation of oxadiazocines in the nucleophilic addition of resorcinol to pyrimidines and synthesis of new azoloannelated benzooxadiazocines |
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| Authors: | E V Bartashevich P V Plekhanov G L Rusinov V A Potemkin A V Belik O N Chupakhin |
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| Institution: | (1) Chelyabinsk State University, 129 ul. Br. Kashirinykh, 454136 Chelyabinsk, Russian Federation;(2) Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, 20 ul. S. Kovalevskoi, 620219 Ekaterinburg, Russian Federation |
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| Abstract: | A method was proposed for estimating the possibility of cyclization of adducts of resorcinol with pyrimidines to form oxadiazocines
based on the conformational criterion and analysis of charges on the C(5) atom of the pyrimidine ring and on the H atom of
the hydroxy group of the resulting adducts. A series of new derivatives of 4,5-dihydro-11H-5,11-methanobenzog]azolo1,3,5]oxadiazocines were synthesized.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1573–1577, August, 1999. |
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| Keywords: | resorcinol azolo[1 5-a]pyrimidines 5 11-dihydro-4H-5 11-methanobenzo[g]azolo[1 3 5]oxadiazocines σ -adduct cyclization molecular mechanics strain energy quantum-chemical calculations electron density distribution |
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