trimethylenetripentaerythritol bis(5,5-dimethyl-O,O-1,3-propylenephosphite) | 1235862-09-5

• 分子结构分类: 有机化合物 - 有机磷化合物 - 亚磷酸三烷基酯
• 英文名称: trimethylenetripentaerythritol bis(5,5-dimethyl-O,O-1,3-propylenephosphite)
• CAS: 1235862-09-5
• 化学式: C₂₈H₅₀O₁₄P₂
• 分子量: 672.644
• InChiKey: LHNIZXPKYNJIOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  44.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  129.22
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  trimethylenetripentaerythritol bis(5,5-dimethyl-O,O-1,3-propylenephosphite) 在 sulfur 作用下， 以 1,4-二氧六环 为溶剂， 以71%的产率得到trimethylenetripentaerythritol bis(5,5-dimethyl-O,O-1,3-propylenethionophosphate)
  参考文献：
  名称：

  New data in the chemistry of phosphotrimethylenepentaerythritol

  摘要：

  Unsymmetrical trimethylene diol was obtained at the transacetalation of dimethoxymethane with tripentaerytritol. On the basis of the diol a group of acyclic and cyclic phosphites interesting as ligands for the metallocomplex bioregulators with sophisticated structure were synthesized.

  DOI：

  10.1134/s1070363209120093
• 作为产物：
  描述：

  (12-(((5-(hydroxymethyl)-1,3-dioxan-5-yl)methoxy)methyl)-2,4,8,10,14-pentaoxaspiro[5.9]pentadecan-12-yl)methanol 、 2-氯-5,5-二甲基-1,3,2-二氧磷杂环己烷 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 以78%的产率得到trimethylenetripentaerythritol bis(5,5-dimethyl-O,O-1,3-propylenephosphite)
  参考文献：
  名称：

  New data in the chemistry of phosphotrimethylenepentaerythritol

  摘要：

  Unsymmetrical trimethylene diol was obtained at the transacetalation of dimethoxymethane with tripentaerytritol. On the basis of the diol a group of acyclic and cyclic phosphites interesting as ligands for the metallocomplex bioregulators with sophisticated structure were synthesized.

  DOI：

  10.1134/s1070363209120093