1,2,3-tris(trifluoromethyl)indene | 134418-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1,2,3-tris(trifluoromethyl)indene
• 英文别名: 1,2,3-tris(trifluoromethyl)-1H-indene
• CAS: 134418-69-2
• 化学式: C₁₂H₅F₉
• 分子量: 320.157
• InChiKey: TXUAZIIZMRCSEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,2,2-三氟苯乙酮 在 甲烷磺酸 、 甲基锂 、 phosphorus pentoxide 作用下， 反应 3.08h， 生成 1,2,3-tris(trifluoromethyl)indene
  参考文献：
  名称：

  Synthesis of perfluoroalkylated indenes

  摘要：

  A series of perfluoroalkylated indenes has been synthesized using four different synthetic pathways. 1-(Pentafluoroethyl)indene and 2-(pentafluoroethyl)indene were prepared by the addition of (pentafluoroethyl)lithium to the appropriate ketones and subsequent dehydration. 2-(Trifluoromethyl)indene was synthesized through the photoinduced addition of trifluoromethyl iodide to indene, followed by dehydroiodination. 1-(Trifluoromethyl)indene was prepared by the addition of (trifluoromethyl)trimethylsilane to 1-indanone followed by deprotection and dehydration and by the sigmatropic cyclization of the appropriate phenylvinyl carbocation. This latter approach was also used to synthesize 1,3-bis(trifluoromethyl)indene and 1,2,3-tris(trifluoromethyl)indene.

  DOI：

  10.1021/jo00017a029