1,2-bis[2-(pent-1-ynyl)-5-phenyl-3-thienyl]perfluorocyclopentene | 676158-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,2-bis[2-(pent-1-ynyl)-5-phenyl-3-thienyl]perfluorocyclopentene
• 英文别名: 3-[3,3,4,4,5,5-Hexafluoro-2-(2-pent-1-ynyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-2-pent-1-ynyl-5-phenylthiophene
• CAS: 676158-01-3
• 化学式: C₃₅H₂₆F₆S₂
• 分子量: 624.714
• InChiKey: PTQCFIZEKHEOFP-UHFFFAOYSA-N

物化性质

• 沸点：
  673.6±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,2-bis[2-(pent-1-ynyl)-5-phenyl-3-thienyl]perfluorocyclopentene 以 正己烷 为溶剂， 生成 4,4,5,5,6,6-Hexafluoro-9a,9b-di-pent-1-ynyl-2,8-diphenyl-5,6,9a,9b-tetrahydro-4H-1,9-dithia-trindene
  参考文献：
  名称：

  Control of Cycloreversion Quantum Yields of Diarylethenes by Introduction of Substituents at the Reactive Carbons

  摘要：

  Several diarylethene derivatives having various substituents at the reactive carbons were prepared and the quantum yields were measured. Although the cyclization quantum yields were scarcely affected by the introduction of substituents, the cycloreversion quantum yields varied depending on the substituents.

  DOI：

  10.1080/15421400590947072
• 作为产物：
  描述：

  4,4,5,5,6,6-Hexafluoro-9a,9b-di-pent-1-ynyl-2,8-diphenyl-5,6,9a,9b-tetrahydro-4H-1,9-dithia-trindene 以 正己烷 为溶剂， 生成 1,2-bis[2-(pent-1-ynyl)-5-phenyl-3-thienyl]perfluorocyclopentene
  参考文献：
  名称：

  Control of Cycloreversion Quantum Yields of Diarylethenes by Introduction of Substituents at the Reactive Carbons

  摘要：

  Several diarylethene derivatives having various substituents at the reactive carbons were prepared and the quantum yields were measured. Although the cyclization quantum yields were scarcely affected by the introduction of substituents, the cycloreversion quantum yields varied depending on the substituents.

  DOI：

  10.1080/15421400590947072

文献信息

• Large geometrical structure changes of photochromic diarylethenes upon photoirradiation
  作者：Kentaro Morimitsu、Seiya Kobatake、Masahiro Irie

  DOI：10.1016/j.tetlet.2003.12.005

  日期：2004.2

  cycloreversion quantum yields of diarylethenes without affecting the absorption maxima and the absorption coefficients of the closed-ring isomers. The derivatives exhibited large geometrical structural changes in the photoisomerization process.

  合成了在活性碳上具有苯基乙炔基和戊-1-炔基的光致变色二芳基乙烯衍生物。这些乙炔基提高了二芳烃的环还原量子产率，而没有影响闭环异构体的最大吸收和吸收系数。衍生物在光异构化过程中表现出较大的几何结构变化。