1,2-bis(5-phenyl-2-(4-pyridyl)ethynyl-3-thienyl)hexafluorocyclopentene | 1026788-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 1,2-bis(5-phenyl-2-(4-pyridyl)ethynyl-3-thienyl)hexafluorocyclopentene
• 英文别名: 4-[2-[3-[3,3,4,4,5,5-Hexafluoro-2-[5-phenyl-2-(2-pyridin-4-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]pyridine；4-[2-[3-[3,3,4,4,5,5-hexafluoro-2-[5-phenyl-2-(2-pyridin-4-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]pyridine
• CAS: 1026788-58-8
• 化学式: C₃₉H₂₀F₆N₂S₂
• 分子量: 694.724
• InChiKey: OBLUMHZFNNNUAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  82.3
• 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-phenyl-2-(4-pyridyl)ethynyl-3-thienyl)hexafluorocyclopentene 以 二氯甲烷 为溶剂， 生成 4-[2-[8,8,9,9,10,10-Hexafluoro-4,14-diphenyl-2-(2-pyridin-4-ylethynyl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-1-yl]ethynyl]pyridine
  参考文献：
  名称：

  Control of the Photoreactivity of Diarylethene Derivatives by Quaternarization of the Pyridylethynyl Group

  摘要：

  Photochromic behavior of diarylethene derivatives with (4-pyridyl)ethynyl group directly attached to the 6-pi hexatriene moieties of the diarylethenes was investigated. Upon quaternarization of the pyridine moieties, the photoreactivity was strongly suppressed. On the other hand, diarylethene derivatives with nonconjugated (4-pyridyl)ethyl group exhibited the photochromic reactivity, regardless of whether pyridyl rings are quaternarized or not. In the case of the (4-pyridyl)ethynyl-substituted compounds, the photochromic reactivity was suppressed by the addition of trifluoroacetic acid and was restored by diethylamine.

  DOI：

  10.1021/ol8005216
• 作为产物：
  描述：

  在 二乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1,2-bis(5-phenyl-2-(4-pyridyl)ethynyl-3-thienyl)hexafluorocyclopentene
  参考文献：
  名称：

  Control of the Photoreactivity of Diarylethene Derivatives by Quaternarization of the Pyridylethynyl Group

  摘要：

  Photochromic behavior of diarylethene derivatives with (4-pyridyl)ethynyl group directly attached to the 6-pi hexatriene moieties of the diarylethenes was investigated. Upon quaternarization of the pyridine moieties, the photoreactivity was strongly suppressed. On the other hand, diarylethene derivatives with nonconjugated (4-pyridyl)ethyl group exhibited the photochromic reactivity, regardless of whether pyridyl rings are quaternarized or not. In the case of the (4-pyridyl)ethynyl-substituted compounds, the photochromic reactivity was suppressed by the addition of trifluoroacetic acid and was restored by diethylamine.

  DOI：

  10.1021/ol8005216