7H-endo-7,8,8-Trichloroperfluorobicyclo<4.2.0>octa-2,4-diene

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 7H-endo-7,8,8-Trichloroperfluorobicyclo<4.2.0>octa-2,4-diene
• 英文别名: (1R,6S,8S)-7,7,8-trichloro-1,2,3,4,5,6-hexafluorobicyclo[4.2.0]octa-2,4-diene
• 化学式: C₈HCl₃F₆
• 分子量: 317.445
• InChiKey: TUZGPPBNJSNHAH-ACZMJKKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  六氟苯 、 三氯乙烯 生成 7H-exo-7,8,8-Trichloroperfluorobicyclo<4.2.0>octa-2,4-diene 、 7H-endo-7,8,8-Trichloroperfluorobicyclo<4.2.0>octa-2,4-diene
  参考文献：
  名称：

  1,2- and 1,8-Dichloroperfluorocyclooctatetraene: Stable Bond-Shift Isomers

  摘要：

  The title compounds 1 and 2 have been synthesized from hexafluorobenzene. Bond-shift interconversion of these isomers is slow even at 150 degrees C; kinetic and thermodynamic parameters for the isomerization have been evaluated. A study of 1 and 2 at high temperatures failed to reveal evidence for skeletal rearrangement. Both direct ultraviolet irradiation and triplet sensitization in solution effected rapid interconversion of these compounds; longer reaction times resulted in photocyclization to anti-tricyclo[4.2.0.0(2,5)]octa-3,7-dienes.

  DOI：

  10.1021/jo00103a039