Artículo
Gavernet, L.; Cisneros, H.S.; Bruno-Blanch, L.E.; Estiú, G.L. "Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism" (2003) Theoretical Chemistry Accounts. 110(6):434-440
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Abstract:
A theoretical study of the mechanisms associated with the synthesis of anticonvulsant symmetric A,N′-substituted sulfamides is presented. Two possible synthetic routes are compared, which mainly differ in the use of pyridine as a nucleophilic agent in the reaction mechanism. Geometry optimization techniques and transition-state detection at the B3LYP/6-31G** level, modeling the solvent by means of an isodensity polarizable continuum approach, allow the most suitable method for the experimental process to be discerned.
Registro:
| Documento: | Artículo |
| Título: | Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism |
| Autor: | Gavernet, L.; Cisneros, H.S.; Bruno-Blanch, L.E.; Estiú, G.L. |
| Filiación: | Química Medicinal, Depto. de Ciencias Biológicas, Universidad Nacional de La Plata, 1900, La Plata, Argentina Depto. Quim. Inorg., Analitica Q., Fac. de Ciencias Exactas y Naturales, Ciudad Universitaria, Buenos Aires, C1428EHA, Argentina Cequinor, Departamento de Química, Univ. Nacional de La Plata 47 y 115, La Plata, B1900AVV, Argentina |
| Palabras clave: | Anticonvulsant sulfamides; Density functional calculations; Reaction mechanisms; anticonvulsive agent; pyrimidine; solvent; sulfamide derivative; anticonvulsant activity; chemical reaction; conference paper; drug synthesis; model; substitution reaction; theory |
| Año: | 2003 |
| Volumen: | 110 |
| Número: | 6 |
| Página de inicio: | 434 |
| Página de fin: | 440 |
| DOI: | http://dx.doi.org/10.1007/s00214-003-0499-2 |
| Título revista: | Theoretical Chemistry Accounts |
| Título revista abreviado: | Theor. Chem. Acc. |
| ISSN: | 1432881X |
| CAS: | pyrimidine, 289-95-2 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1432881X_v110_n6_p434_Gavernet |
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Citas:
---------- APA ----------
Gavernet, L., Cisneros, H.S., Bruno-Blanch, L.E. & Estiú, G.L. (2003) . Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism. Theoretical Chemistry Accounts, 110(6), 434-440.http://dx.doi.org/10.1007/s00214-003-0499-2
---------- CHICAGO ----------
Gavernet, L., Cisneros, H.S., Bruno-Blanch, L.E., Estiú, G.L. "Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism" . Theoretical Chemistry Accounts 110, no. 6 (2003) : 434-440.http://dx.doi.org/10.1007/s00214-003-0499-2
---------- MLA ----------
Gavernet, L., Cisneros, H.S., Bruno-Blanch, L.E., Estiú, G.L. "Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism" . Theoretical Chemistry Accounts, vol. 110, no. 6, 2003, pp. 434-440.http://dx.doi.org/10.1007/s00214-003-0499-2
---------- VANCOUVER ----------
Gavernet, L., Cisneros, H.S., Bruno-Blanch, L.E., Estiú, G.L. Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism. Theor. Chem. Acc. 2003;110(6):434-440.http://dx.doi.org/10.1007/s00214-003-0499-2
