Chin. J. Org. Chem. ›› 1992, Vol. 12 ›› Issue (5): 482-487. Previous Articles     Next Articles

Original Articles

二烷基苯基磷(膦)酸酯重排和水解反应的结构效应

李树森;王国权   

  1. 中国科学院上海有机化学研究所;中国科学院计算机化学开放实验室
  • 发布日期:1992-10-25

The structure effects on Scp^2-O-P rearrangement reactions and alkaline -hydrolysis reactions for phosphinates,phosphonates and phosphates

LI SHUSEN;WANG GUOQUAN   

  • Published:1992-10-25

The structure effects on the rearrangement and alkaline hydrolysis reactions for title compounds I (R1, R2 = MeO, MeO; MeO, Et; Et, Et) are investigated by MM and MNDO methods. The results indicate that the activation energies of the rearrangement reactions increase with the increasing no. of the C-P bonds in the substrates, that is consistant with the experimental results. On the contrary the activation energies for the alkaline hydrolysis reaction are opposite to the experimental results, which can be explained by the difference of the solvent effects between the substrates and the transition states.

Key words: PHOSPHONIC ACID ESTER, QUANTUM CHEMISTRY, MOLECULAR MECHANICS, REARRANGEMENT REACTION, HYROLYSIS, STRUCTURAL EFFECT

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