Reactions of Azinium Cations. 8. Electron Structures of 3-Substituted 1,2,4-Triazines and Protonation, Quaternization, and Reactions with Nucleophiles
Full article
| Common |
Language:
Английский,
Genre:
Full article,
Status:
Published,
Source type:
Translated
|
| Journal |
Chemistry of Heterocyclic Compounds
ISSN: 0009-3122
, E-ISSN: 1573-8353
|
| Output data |
Year: 1988,
Volume: 24,
Number: 4,
Pages: 434-441
Pages count
: 8
DOI:
10.1007/BF00478865
|
| Tags |
Spectroscopy; Experimental Data; Methanol; Organic Chemistry; Adduct |
| Authors |
Alekseev S.G.
1,2,3
,
Torgashev P.A.
1,2,3
,
Fedotov M.A.
1,2,3
,
Rezvukhin A.I.
1,2,3
,
Shorshnev S.V.
1,2,3
,
Belik A.V.
1,2,3
,
Charushin V.N.
1,2,3
,
Chupakhin O.N.
1,2,3
|
| Affiliations |
| 1 |
Chelyabinsk State University, Chelyabinsk 454136
|
| 2 |
Institute of Catalysis, Siberian Branch, Academy of Sciences of the USSR, Norosibirsk 630090
|
| 3 |
Institute of Therapy, Siberian Branch, Academy of Sciences of the USSR, Novosibirsk 630003
|
|
The electron structures of 3-substituted 1,2,4-triazines and isomeric
N-methyltriazinium salts were calculated by the CNDO/2 method. The results of the calculations were compared with the parameters of the 13C, 15N, and 14N NMR spectra, as well as with experimental data on the protonation, N-alkylation, and reactions of 1,2,4-triazines with simple nucleophiles. The protonation centers of
1,2,4-triazines were determined by means of 1H, 13C, and 14N NMR spectroscopy.
The covalent adducts formed by the proton salts of 3-methoxy-, 3-methylthio-,
3-morpholino-, and 3-pyrrolidino-1,2,4-triazine with water and methanol were recorded by 1H NMR spectroscopy.