1,11-di(5,5-dimethyl-O,O-1,3-propylenethionophosphate)-2',2'':6',6'':10',10''-tri-O-methylene-2,2,6,6,10,10-hexakis(hydroxymethyl)-4,8-dioxa-1,11-undecanediol | 1186366-75-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: 1,11-di(5,5-dimethyl-O,O-1,3-propylenethionophosphate)-2',2'':6',6'':10',10''-tri-O-methylene-2,2,6,6,10,10-hexakis(hydroxymethyl)-4,8-dioxa-1,11-undecanediol
• CAS: 1186366-75-5
• 化学式: C₂₈H₅₀O₁₄P₂S₂
• 分子量: 736.776
• InChiKey: XWLVTUOONHEXRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  46.0
• 可旋转键数：
  14.0
• 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：
  16.0

反应信息

• 作为产物：
  描述：

  1,11-di(5,5-dimethyl-O,O-1,3-propylenephosphite)-2',2'':6',6'':10',10''-tri-O-methylene-2,2,6,6,10,10-hexakis(hydroxymethyl)-4,8-dioxa-1,11-undecanediol 在 sulfur 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以60%的产率得到1,11-di(5,5-dimethyl-O,O-1,3-propylenethionophosphate)-2',2'':6',6'':10',10''-tri-O-methylene-2,2,6,6,10,10-hexakis(hydroxymethyl)-4,8-dioxa-1,11-undecanediol
  参考文献：
  名称：

  Pioneering examples of preparative phosphorylation of pentaerythritol

  摘要：

  The transacetalization of dimethoxyethane with tripcntaerythritol affords respective trimethylene diol. The oligools derived from the tripentaerytritol and its trimethylene derivative were used in the syntheses of unusual oligophosphites that might be interesting as ligands for intricate metal complex constructions.

  DOI：

  10.1134/s1070363208080070