(Z)-7-((1R,2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2-((S,E)-3-fluorooct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoyl fluoride | 1176878-90-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (Z)-7-((1R,2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2-((S,E)-3-fluorooct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoyl fluoride
• CAS: 1176878-90-2
• 化学式: C₂₆H₄₄F₂O₃Si
• 分子量: 470.716
• InChiKey: BVZJXJVLUUGKSY-VBNQCHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.67
• 重原子数：
  32.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  甘油1,3-二硝酸酯 、 (Z)-7-((1R,2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2-((S,E)-3-fluorooct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoyl fluoride 在 三乙胺 作用下， 以 丙酮 为溶剂， 生成 1,3-bis(nitrooxy)propan-2-yl (Z)-7-((1R,2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2-((S,E)-3-fluorooct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoate
  参考文献：
  名称：

  Prostaglandin fluorides in synthesis of natural prostaglandin derivatives at carboxyl group

  摘要：

  Methods of synthesis of prostaglandin fluorides were developed and their properties were investigated. These compounds were shown to be convenient synthetic precursors for obtaining esters and amides of natural prostaglandins and their fluorodeoxy analogues.

  DOI：

  10.1134/s1068162009010142
• 作为产物：
  描述：

  11-tert-butyldimethylsilylprostaglandin E2 在 三氟化硫吗啉 作用下， 以 二氯甲烷 为溶剂， 生成 (Z)-7-((1R,2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2-((S,E)-3-fluorooct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoyl fluoride
  参考文献：
  名称：

  Prostaglandin fluorides in synthesis of natural prostaglandin derivatives at carboxyl group

  摘要：

  Methods of synthesis of prostaglandin fluorides were developed and their properties were investigated. These compounds were shown to be convenient synthetic precursors for obtaining esters and amides of natural prostaglandins and their fluorodeoxy analogues.

  DOI：

  10.1134/s1068162009010142