((R)-4-{(1R,3aS,7aR)-4-[2-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-pentyl)-phosphonic acid dimethyl ester | 137548-47-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ((R)-4-{(1R,3aS,7aR)-4-[2-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-pentyl)-phosphonic acid dimethyl ester
• CAS: 137548-47-1
• 化学式: C₃₂H₅₇O₄PSi
• 分子量: 564.861
• InChiKey: IMOYPQSVXIURNW-AULMXSGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.09
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ((R)-4-{(1R,3aS,7aR)-4-[2-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-pentyl)-phosphonic acid dimethyl ester 在 四丁基氟化铵 作用下， 以67%的产率得到25-oxo-25-phospha-26,27-dioxa-26,27-dimethylvitamin D₃
  参考文献：
  名称：

  25-Phosphorus analogs of vitamin D3

  摘要：

  The syntheses 1-alpha-hydroxy-25-oxo-25-phosphavitamin D3, 25-oxo-25-phospha-26,27-dioxa-26,27-dimethylvitamin D3, and 1-alpha-hydroxy-25-oxo-25-phospha-26,27-dioxa-26,27-dimethylvitamin D3 are reported. The biological activity of 25-oxo-25-phosphavitamin D3 and the above compounds are reported.

  DOI：

  10.1016/s0040-4039(00)92270-6
• 作为产物：
  描述：

  [(1R,3aR,4S,7aR)-1-[(2R)-5-iodopentan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane 在 正丁基锂 、 AG-50W-X₄ cationic exchange resin 作用下， 以 甲醇 为溶剂， 生成 ((R)-4-{(1R,3aS,7aR)-4-[2-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-pentyl)-phosphonic acid dimethyl ester
  参考文献：
  名称：

  25-Phosphorus analogs of vitamin D3

  摘要：

  The syntheses 1-alpha-hydroxy-25-oxo-25-phosphavitamin D3, 25-oxo-25-phospha-26,27-dioxa-26,27-dimethylvitamin D3, and 1-alpha-hydroxy-25-oxo-25-phospha-26,27-dioxa-26,27-dimethylvitamin D3 are reported. The biological activity of 25-oxo-25-phosphavitamin D3 and the above compounds are reported.

  DOI：

  10.1016/s0040-4039(00)92270-6