| Autor: |
Davydov, V. V., Sokol, V. I., Balebanova, E. V., Shklyaev, Yu. V., Zakharov, V. F., Kuznetsov, S. L., Zaitsev, B. E. |
| Zdroj: |
Chemistry of Heterocyclic Compounds; July 1995, Vol. 31 Issue: 7 p803-812, 10p |
| Abstrakt: |
The crystalline and molecular structure of 3,3-dimethyl-6,7-dimethoxy-1-(4,4-dimethylcyelohexa-2,6-dion-1-yl)-3,4-dihydroisoquinoline (I) have been determined. The effects of 6- and 7- substituents on the structure and tautomeric conversion of 3,3-dimethyl-1-(4,4-dimethylcyclohexa-2, 6-dion-1-yl)-3, 4-dihydroisoquinoline in solution have been studied by IR, electronic, x-ray electronic, and NMR spectroscopy and using quantumchemical calculations in the MNDO/H approximation. It was found that I exists in the enamine-diketone tautomeric form in the crystalline state and in solution. The 6- and 7- substituents cause a change in molecular conformation and a corresponding redistribution of electron density. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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