Conformation and stereodynamics of 1,2-diaryltetrahydropyrimidine and of its five- and seven-membered ring analogs |
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| Authors: | Jimena E DíazNadia Gruber Lodovico LunazziAndrea Mazzanti Liliana R Orelli |
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| Institution: | a Department of Organic Chemistry ‘A.Mangini’, University of Bologna, Viale Risorgimento 4, Bologna 40136, Italy
b Departamento de Química Orgánica, Facultad de Farmacia y Bioquímica, Universidad de Buenos Aires, CONICET, Junin 956, Buenos Aires 1113, Argentina |
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| Abstract: | The 1-(2-nitrophenyl)-2-(2-methylphenyl)-1,4,5,6-tetrahydropyrimidine and its five- and seven-membered ring analogs were synthesized and their conformational properties investigated by low temperature NMR spectroscopy and DFT theoretical calculations. Restricted rotation of the aryl substituents were observed in all cases and the corresponding barriers determined. In the case of the six-membered ring derivative the additional conformers resulting from a ring inversion process were also detected. |
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| Keywords: | Nitrogen heterocycles Conformational analysis Axial chirality Dynamic NMR DFT calculations |
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