Theoretical and experimental study on the reactions between 3,5-di-O-p-toluoyl-d-2-deoxyribosyl chloride and alcohols

The solvent effect on the reactions of 3,5-di-O-p-toluoyl-d-2-deoxyribosyl chloride with alcohols has been studied with the help of density functional theory (DFT) method using the polarized continuum model (PCM). Moreover, the calculation allows a discussion of the solvent effect on the ratio of α- to β-anomer to compare with the experimental result. The results obtained by the present calculations are in excellent agreement with the experimental findings.