3,3-bis[bis(diethylamino)phosphinothioyloxymethyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one | 876373-48-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-bis[bis(diethylamino)phosphinothioyloxymethyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one
• CAS: 876373-48-7
• 化学式: C₂₈H₅₈N₄O₅P₂S₂
• 分子量: 656.872
• InChiKey: KYSPSRRRGKGYLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.95
• 重原子数：
  41.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  66.95
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3,3-bis[bis(diethylamino)phosphinothioyloxymethyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one 、 棕榈酰氯 在 zinc(II) chloride 作用下， 以 氯仿 为溶剂， 反应 8.0h， 以52.6%的产率得到[3,3-bis[bis(diethylamino)phosphinothioyloxymethyl]-1-(hexadecanoyloxymethyl)-2-oxocyclopentyl]methyl hexadecanoate
  参考文献：
  名称：

  Synthesis of thio-and selenophospholipids from 2,2,5,5-Tetra(hydroxymethyl)cyclopentanone

  摘要：

  New phospholipids, thio- and selenoanalogues of phosphatidic acids, were synthesized on the basis of 2,2,5,5-tetra(hydroxymethyl)cyclopentanone. The starting tetraol monoketal was phosphorylated with amidophosphorous acid chlorides to protected polyol amidophosphites, which were further sulfurized or selenized to phosphoacetals. These were directly acylated with fatty acid chlorides to thio- and selenoanalogues of phospholipids.

  DOI：

  10.1134/s106816200605013x
• 作为产物：
  描述：

  3,3-bis[bis(diethylamino)phosphanyloxymethyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one 在 sulfur 作用下， 以 苯 为溶剂， 以1.0 g的产率得到3,3-bis[bis(diethylamino)phosphinothioyloxymethyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one
  参考文献：
  名称：

  Synthesis of thio-and selenophospholipids from 2,2,5,5-Tetra(hydroxymethyl)cyclopentanone

  摘要：

  New phospholipids, thio- and selenoanalogues of phosphatidic acids, were synthesized on the basis of 2,2,5,5-tetra(hydroxymethyl)cyclopentanone. The starting tetraol monoketal was phosphorylated with amidophosphorous acid chlorides to protected polyol amidophosphites, which were further sulfurized or selenized to phosphoacetals. These were directly acylated with fatty acid chlorides to thio- and selenoanalogues of phospholipids.

  DOI：

  10.1134/s106816200605013x

文献信息

• 2,2,5,5-Tetra(hydroxymethyl)cyclopentanone in the Synthesis of New Types of Phospholipides
  作者：G. A. Savin

  DOI：10.1007/s11178-005-0163-5

  日期：2005.2