{(S)-4-[2-[(1R,3aR,4S,5S,7aR)-4-Allyl-1-((R)-1,5-dimethyl-hexyl)-4-methoxy-7a-methyl-octahydro-inden-5-yl]-eth-(Z)-ylidene]-3-methylene-cyclohexyloxy}-tert-butyl-dimethyl-silane | 343974-34-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: {(S)-4-[2-[(1R,3aR,4S,5S,7aR)-4-Allyl-1-((R)-1,5-dimethyl-hexyl)-4-methoxy-7a-methyl-octahydro-inden-5-yl]-eth-(Z)-ylidene]-3-methylene-cyclohexyloxy}-tert-butyl-dimethyl-silane
• CAS: 343974-34-5
• 化学式: C₃₇H₆₆O₂Si
• 分子量: 571.015
• InChiKey: AQKVWYGOGOUKGS-QEXNPWJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  40.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  {(S)-4-[2-[(1R,3aR,4S,5S,7aR)-4-Allyl-1-((R)-1,5-dimethyl-hexyl)-4-methoxy-7a-methyl-octahydro-inden-5-yl]-eth-(Z)-ylidene]-3-methylene-cyclohexyloxy}-tert-butyl-dimethyl-silane 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到(3R,3aR,5aS,9aS,9bR)-3-((R)-1,5-Dimethyl-hexyl)-9a-methoxy-3a-methyl-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
  参考文献：
  名称：

  Access to [6.4.0]Carbocyclic Systems by Tandem Metathesis of Dienynes. A Step toward the Synthesis of a PreD₃−D₃ Transition State Analogue

  摘要：

  A new approach to the synthesis of linearly fused 6-8-6 tricarbocyclic systems, tandem ring-closing metathesis of dienynes, allows access to compounds with a carbon framework analogous to the proposed transition state of the isomerization of previtamin D-3 to vitamin D-3.

  DOI：

  10.1021/ol0158011
• 作为产物：
  描述：

  {(S)-4-[2-Bromo-eth-(Z)-ylidene]-3-methylene-cyclohexyloxy}-tert-butyl-dimethyl-silane 在 18-冠醚-6 、 potassium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 {(S)-4-[2-[(1R,3aR,4S,5S,7aR)-4-Allyl-1-((R)-1,5-dimethyl-hexyl)-4-methoxy-7a-methyl-octahydro-inden-5-yl]-eth-(Z)-ylidene]-3-methylene-cyclohexyloxy}-tert-butyl-dimethyl-silane
  参考文献：
  名称：

  Access to [6.4.0]Carbocyclic Systems by Tandem Metathesis of Dienynes. A Step toward the Synthesis of a PreD₃−D₃ Transition State Analogue

  摘要：

  A new approach to the synthesis of linearly fused 6-8-6 tricarbocyclic systems, tandem ring-closing metathesis of dienynes, allows access to compounds with a carbon framework analogous to the proposed transition state of the isomerization of previtamin D-3 to vitamin D-3.

  DOI：

  10.1021/ol0158011