Synthesis and X-ray diffraction study of 5-(8-methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-dimethylbarbituric acid |
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| Authors: | Krasnov K. A. Kartsev V. G. Khrustalev V. N. |
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| Affiliation: | (1) I. I. Mechnikov St.-Petersburg State Medical Academy, 47 Piskarevsky prosp., 195067 St.-Petersburg, Russian Federation;(2) INTERBIOSCREEN Joint-Stock Company, 7a Institutskii prosp., 143432 Chernogolovka, Moscow Region, Russian Federation;(3) A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119991 Moscow, Russian Federation |
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| Abstract: | The reaction of cotarnine with 1,3-dimethylbarbituric acid afforded 5-(8-methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-dimethylbarbituric acid. Its crystal structure was established by X-ray diffraction analysis and the structure in solution was studied by 1H NMR spectroscopy. This compound has a zwitterionic structure. In the crystal, the molecules are linked in dimers by intermolecular hydrogen bonds, and in solutions, the dimers occur in equilibrium with the monomers. |
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| Keywords: | cotarnine 1,3-dimethylbarbituric acid 5-(8-methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-dimethylbarbituric acid X-ray diffraction analysis NMR spectroscopy |
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