1-pentafluorophenyloctafluoro-1-chloroindan | 519059-88-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-pentafluorophenyloctafluoro-1-chloroindan
• 英文别名: 1-chloro-2,2,3,3,4,5,6,7-octafluoro-1-(2,3,4,5,6-pentafluorophenyl)indene
• CAS: 519059-88-2
• 化学式: C₁₅ClF₁₃
• 分子量: 462.597
• InChiKey: ULEFVSAHBOFZKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.16
• 重原子数：
  29.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1-pentafluorophenyloctafluoro-1-chloroindan 在 氯氟磺酰 、 五氟化锑 、 cesium fluoride 作用下， 以 乙腈 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  摘要：

  The reactivity of perfluorinated benzocyclobutene, indan, and tetralin in reaction with pentafluorobenzene in SbF5 medium, and also the relative stability of generated therewith perfluoro-1-phenyl-benzocycloalkenyl cations decrease with increasing alicyclic fragment in the benzocycloalkene. Treating the solutions of salts of the above cations with anhydrous HF results in the corresponding perfluoro-1-phenylbenzocycloalkenes, and the hydrolysis of salts furnishes their 1-hydroxy derivatives. In a reaction of 1-hydroxyperfluoro-1-phenylbenzocyclobutene, -indan, and -tetralin with SOCl2 the hydroxy group is replaced by chlorine. Besides with indan and tetralin derivatives form respectively 7-pentafluorophenyl-octafluoro-3-chlorobicyclo[4.3.0]hepta- 1,4,6-triene and 7-pentafluorophenyldecafluoro-3-chlorobicyclo[4.4.0]octa-1,4,6-triene.

  DOI：

  10.1023/a:1020901526459
• 作为产物：
  描述：

  1-Hydroxyperfluoro-1-phenylindan 在 氯化亚砜 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 7-pentafluorophenyloctafluoro-3-chlorobicyclo[4.3.0]hepta-1,4,6-triene 、 1-pentafluorophenyloctafluoro-1-chloroindan
  参考文献：
  名称：

  摘要：

  The reactivity of perfluorinated benzocyclobutene, indan, and tetralin in reaction with pentafluorobenzene in SbF5 medium, and also the relative stability of generated therewith perfluoro-1-phenyl-benzocycloalkenyl cations decrease with increasing alicyclic fragment in the benzocycloalkene. Treating the solutions of salts of the above cations with anhydrous HF results in the corresponding perfluoro-1-phenylbenzocycloalkenes, and the hydrolysis of salts furnishes their 1-hydroxy derivatives. In a reaction of 1-hydroxyperfluoro-1-phenylbenzocyclobutene, -indan, and -tetralin with SOCl2 the hydroxy group is replaced by chlorine. Besides with indan and tetralin derivatives form respectively 7-pentafluorophenyl-octafluoro-3-chlorobicyclo[4.3.0]hepta- 1,4,6-triene and 7-pentafluorophenyldecafluoro-3-chlorobicyclo[4.4.0]octa-1,4,6-triene.

  DOI：

  10.1023/a:1020901526459