7,7-di(hydroxymethyl)-3,3-dimethyl-6-oxo-2,4-dioxaspiro[4.5]decene | 876373-46-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,7-di(hydroxymethyl)-3,3-dimethyl-6-oxo-2,4-dioxaspiro[4.5]decene
• 英文别名: 3,3-bis(hydroxymethyl)-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one
• CAS: 876373-46-5
• 化学式: C₁₂H₂₀O₅
• 分子量: 244.288
• InChiKey: YHMCMBUJCGKAMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  398.3±27.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  75.99
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7,7-di(hydroxymethyl)-3,3-dimethyl-6-oxo-2,4-dioxaspiro[4.5]decene 在 sulfur 作用下， 以 苯 为溶剂， 生成 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
• 作为产物：
  描述：

  2,2,5,5-四(羟基甲基)环戊酮 、 丙酮 以74%的产率得到7,7-di(hydroxymethyl)-3,3-dimethyl-6-oxo-2,4-dioxaspiro[4.5]decene
  参考文献：
  名称：

  2,2,5,5-Tetra(hydroxymethyl)cyclopentanone in the Synthesis of New Types of Phospholipides

  摘要：

  DOI：

  10.1007/s11178-005-0163-5