SciELO - Scientific Electronic Library Online

vol.65Novel O^N^N pyrazolyl-imine and imidazolyl-imine pincer palladium complexes as Heck coupling catalystsConvenient reduction of carbonyl compounds to their corresponding alcohols with NaBH4/(NH4)2C2O4 system índice de autoresíndice de materiabúsqueda de artículos
Home Pagelista alfabética de revistas  

Servicios Personalizados



Links relacionados

  • En proceso de indezaciónCitado por Google
  • En proceso de indezaciónSimilares en Google


South African Journal of Chemistry

versión On-line ISSN 1996-840X
versión impresa ISSN 0379-4350


BANUEIOS-HERNANDEZ, A.E.  y  MENDOZA-ESPINOZA, J.A.. Study of cyclization of diphenylacetals derived from L-rhamnose and L-fucose: A theoretical approach. S.Afr.j.chem. (Online) [online]. 2012, vol.65, pp.84-90. ISSN 1996-840X.

This work aimed to study the configuration of two mono-tosyl-diphenylacetals, highly flexible molecules derived from L-ramnose and L-fucose, by means of the Monte Carlo conformational search method. The energy of the conformers established by this method and calculated by using the molecular mechanics force field (MMFF) permitted to establish a first conformational space. The geometry of the conformers was optimized by using the semi-empirical AM1 and the density functional B3LYP/DGDZVP methods. We were able to explain the different final products recovered from the reaction of the diphenylacetals derived from L-rhamnose and L-fucose with tosyl chloride, in a pyridine solution. On the other hand, obtaining cyclical compounds by intramolecular cyclization could be an attractive pathway for the synthesis of furanosides.

Palabras clave : Molecular modelling; conformational analysis; Monte Carlo conformational search method; L-rhamnose; L-fucose; B3LYP; DGDZVP; diphenylthioacetal.

        · texto en Inglés     · Inglés ( pdf )


Creative Commons License Todo el contenido de esta revista, excepto dónde está identificado, está bajo una Licencia Creative Commons