It was studied properties of electrionc structure S-, O-aniones generated from 6-methyl-2-thio,- 2-thioalcyl(aralcyl)uracil. Quite electroinc energy of S-anion more then O-anion on 55.9 kJ/mol. Quantumchemical culculation and kinetic research of reaction S N2 substituation halogen in halogencontaining proove high selectiviity S-anion O-anion whith obtained 6-methyl-2-thio,- 2-thioalcyl(aralcyl)uracil.
квантово-химический расчет, метод ab-initio, 6-метил-2-тио-, 2-тиоалкил(аралкил) урацил, S- и О- анион, реакционная способность, quantum-chemical calculation, the method of ab-initio, 6-methyl-2- thio, 2-[tioalkil] (aralkyl) uracil, S and about the anion, reactivity
1. Choki Shoichi, Yojro,Aoki Tomiyoshi. Yaponiya, RZhhim. (1999). 16 -19O.102, 2000
2. Rabusic E. Pat. 77130 (1954). Daniya, RZhhim. (1994). 17O53, 1955.
3. Abdel-Rahman Adel A.-H. // Afinidad. 1997. V.54. № 468. R. 135
4. Rahman A.A.-H., Abdel Aal M.T. // Pharmazie. 1998. 53. № 6. R. 377
5. Besada Amir, Tadros N.B., Gawargyious Y.A. Egypt. J. Pharm. Sci. 1989. 30. № 1. R. 251
6. Adav Geo, Kolczewski Sabine, Mutel Vincent, et. al. EPV, RZhhim. (1999). 23 O.136, 1999.
7. Imaidzumi Masaesi, Sakada Sindzi, Kano Fumitaha, Yamaso Seyu. Yaponiya, RZhhim. (1992). 14O.59, 1995
8. Maccha Marko, Antonell Guido, Balsamo Aldo, et. al. Farmaco(Amsterdam).1999.V.54, №4. P. 242
9. Larson Janus S., Abdel Abl Mohammed Taha, et. al. J. Heterocycl. Chem. 2001. V. 38. №3. P. 679
10. Morris Joel, Adams Wade, Friis Janice, Wishka Donn. Pat 6124306 (1999). SShA, 2000
11. Mai A., Sbardella G., Artico M., et. al. J. Med. Chem. 2001. V. 44. №16. P. 2544.
12. Novikov M. S., Ozerov A. A., Brel' A. K., i dr. Himiya i tehnologiya elementoorganicheskih monomerov i polimernyh materialov: Sb. nauch. trudov / VolgGTU. - Volgograd, 2002. S. 53
13. Mai A., Sbardella G., Artico M., et. al. Med. Chem. 1999. V.42. №4. P. 619
14. Quaglia M., Mai A., Artico M., et. al. Chirality. 2001. V.13. P.75
15. Sudbeck E.A., Mao C., Venkatachalam T.K., et. al. Antimicrob. Agents Chemother. 1998. V.42. №12. P.3225
16. Jmam Dalia R., El-Barbary Ahmed A., Nielsen Claus, et. al. Monatsh. Chem. 133. № 5. R. 723
17. Ole S. Pedersen, Lene Petersen, Malene Brandt, et. al. Monatsh. Chem. 130. 1999. R. 1499
18. Mitsuya, H., Broder. S. Nature. 325. 1987. R. 773
19. Goff, S.P. J. Acquired Immune Defic. Syndr. № 3. 1990. R. 817
20. Vorbruggen H., Bennua B. A. Chem Ber. 114. 1981. R. 1279
21. De Clercq E. J. Med. Chem. 38. 1995. R. 2491 Baba M., Tanaka H., Miysaka T., et. al. Nucleosides Nucleotides. 14. 1995. R. 497
22. Schmidt M.W., Baldridge K.K., Boatz J.A., et. al. J.Comput.Chem. 1993, 14, 1347
23. A.I. Rahimov, E.S. Titova, R.G. Fedunov, V.A. Babkin, G.E. Zaikov. Quantum-Chemical aneiysis of Reactivity of S-and O-(eralkyl) thiouracils. In book: Quantum-Chemical Celcuation of Malecular Systems as the Besis of Nanotechnologies in appeied Quentum Chemistry. New York, Nava Seienu Pudlisher, 2012, Chepter pp. 37-45.