1,2-bis(5-cyano-2,4-dimethylthiophen-3-yl)perfluorocyclopentene | 137814-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1,2-bis(5-cyano-2,4-dimethylthiophen-3-yl)perfluorocyclopentene
• 英文别名: 4-[2-(5-Cyano-2,4-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophene-2-carbonitrile
• CAS: 137814-09-6
• 化学式: C₁₉H₁₂F₆N₂S₂
• 分子量: 446.44
• InChiKey: PUAWQHNQIZVQPH-UHFFFAOYSA-N

物化性质

• 沸点：
  483.8±45.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2-bis(5-cyano-2,4-dimethylthiophen-3-yl)perfluorocyclopentene 以 萘烷 为溶剂， 生成 8,8,9,9,10,10-Hexafluoro-1,2,5,13-tetramethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-4,14-dicarbonitrile
  参考文献：
  名称：

  Photochromism of diarylethenes having thiophene oligomers as the aryl groups

  摘要：

  Diarylperfluorocyclopentenes having thiophene oligomers as the aryl groups were synthesized and their photochromic reactivity was examined. The cylization quantum yields were scarcely affected by the oligomer chain length, while the ring-opening quantum yields dramatically decreased with the increasing number of the thiophene rings, The low quantum yield of a 1,2-bis(5 ''-cyano-2,4-dimethyl-5,2':5',2 ''-terthiophen-3-yl)perfluorocyclopentene closed-ring form was increased as large as 34 times by raising the reaction temperature from 25 degrees C to 150 degrees C. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00558-9
• 作为产物：
  描述：

  3-[2-(2,4-二甲基噻吩-3-基)-3,3,4,4,5,5-六氟环戊烯-1-基]-2,4-二甲基噻吩 在 碘 、 碘酸 作用下， 以 四氯化碳 、 六甲基磷酰三胺 为溶剂， 反应 51.0h， 生成 1,2-bis(5-cyano-2,4-dimethylthiophen-3-yl)perfluorocyclopentene
  参考文献：
  名称：

  Photochromism of diarylethenes having thiophene oligomers as the aryl groups

  摘要：

  Diarylperfluorocyclopentenes having thiophene oligomers as the aryl groups were synthesized and their photochromic reactivity was examined. The cylization quantum yields were scarcely affected by the oligomer chain length, while the ring-opening quantum yields dramatically decreased with the increasing number of the thiophene rings, The low quantum yield of a 1,2-bis(5 ''-cyano-2,4-dimethyl-5,2':5',2 ''-terthiophen-3-yl)perfluorocyclopentene closed-ring form was increased as large as 34 times by raising the reaction temperature from 25 degrees C to 150 degrees C. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00558-9