(4'aS,8'aS)-4'a-Trifluoromethyl-4',4'a,8',8'a-tetrahydro-1'H,3'H-spiro[[1,3]dioxolane-2,2'-naphthalen]-7'-one | 136765-64-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4'aS,8'aS)-4'a-Trifluoromethyl-4',4'a,8',8'a-tetrahydro-1'H,3'H-spiro[[1,3]dioxolane-2,2'-naphthalen]-7'-one
• CAS: 136765-64-5
• 化学式: C₁₃H₁₅F₃O₃
• 分子量: 276.256
• InChiKey: XAYOOPRJHFKSIS-ONGXEEELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4'aS,8'aS)-4'a-Trifluoromethyl-4',4'a,8',8'a-tetrahydro-1'H,3'H-spiro[[1,3]dioxolane-2,2'-naphthalen]-7'-one 在 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Preparations of angularly trifluoromethylated compounds

  摘要：

  Angularly trifluoromethylated cis-bicyclic compounds were effectively produced by intramolecular radical and Michael addition reactions. As a typical target molecule, 19,19,19-trifluorosteroid was prepared using an angularly trifluoromethylated bicyclic compound.

  DOI：

  10.1016/s0040-4039(00)79887-x
• 作为产物：
  描述：

  methyl 5-hydroxy-3-oxo-5-[4-oxo-1-(trifluoromethyl)cyclohex-2-en-1-yl]pentanoate 在 盐酸 、 lithium hydroxide 作用下， 反应 0.5h， 生成 (4'aS,8'aS)-4'a-Trifluoromethyl-4',4'a,8',8'a-tetrahydro-1'H,3'H-spiro[[1,3]dioxolane-2,2'-naphthalen]-7'-one
  参考文献：
  名称：

  Preparations of angularly trifluoromethylated compounds

  摘要：

  Angularly trifluoromethylated cis-bicyclic compounds were effectively produced by intramolecular radical and Michael addition reactions. As a typical target molecule, 19,19,19-trifluorosteroid was prepared using an angularly trifluoromethylated bicyclic compound.

  DOI：

  10.1016/s0040-4039(00)79887-x