| Autor: |
Ikeda H; Faculty of Pharmaceutical Sciences, Fukuoka University, Japan., Yukawa M, Niiya T |
| Jazyk: |
angličtina |
| Zdroj: |
Chemical & pharmaceutical bulletin [Chem Pharm Bull (Tokyo)] 2005 Jul; Vol. 53 (7), pp. 820-5. |
| DOI: |
10.1248/cpb.53.820 |
| Abstrakt: |
The mechanisms of nitrosation of acetone through sodium enolate [CH3COCH2]- Na+ (1) or naked enolate [CH3COCH2]- (2) with tert-butyl nitrite (CH3)3CONO (3) were studied using ab initio molecular orbital (MO) methods. When the modified complex model was used in the elimination process, our results demonstrated the predominant formation of E-1-hydroxy-imino-2-oxo-propane CH3COCH=NOH (4E), in which a counter-cation of the base catalyst did not participate during the reaction. On the other hand, participation of the counter-cation during the reaction contributed to the formation of the Z-isomer of 4 (4Z). |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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