1,2-bis(5-phenyl-2-(phenylethynyl)thien-3-yl)hexafluorocyclopentene | 676158-00-2

• 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-(phenylethynyl)thien-3-yl)hexafluorocyclopentene
• 英文别名: 1,2-bis(2-phenylethynyl-5-phenyl-3-thienyl)perfluorocyclopentene；3,3'-(Hexafluorocyclopentene-1,2-diyl)bis[2-(phenylethynyl)-5-phenylthiophene]；3-[3,3,4,4,5,5-hexafluoro-2-[5-phenyl-2-(2-phenylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenyl-2-(2-phenylethynyl)thiophene
• CAS: 676158-00-2
• 化学式: C₄₁H₂₂F₆S₂
• 分子量: 692.748
• InChiKey: YIDDKKGCFBUDSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 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(5-phenyl-2-(phenylethynyl)thien-3-yl)hexafluorocyclopentene 以 正己烷 为溶剂， 生成 (9aR,9bR)-4,4,5,5,6,6-Hexafluoro-2,8-diphenyl-9a,9b-bis-phenylethynyl-5,6,9a,9b-tetrahydro-4H-1,9-dithia-trindene
  参考文献：
  名称：

  光致变色二硫杂环丁烷在光辐照下的几何结构发生较大变化

  摘要：

  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。

  DOI：

  10.1016/j.tetlet.2003.12.005
• 作为产物：
  描述：

  4,4,5,5,6,6-Hexafluoro-2,8-diphenyl-9a,9b-bis-phenylethynyl-5,6,9a,9b-tetrahydro-4H-1,9-dithia-trindene 以 正己烷 为溶剂， 生成 1,2-bis(5-phenyl-2-(phenylethynyl)thien-3-yl)hexafluorocyclopentene
  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

• Synthesis and photochromism of 1,2-bis(5-aryl-2-phenylethynylthien-3-yl)hexafluorocyclopentene derivatives
  作者：Jianxin Cai、Amani Farhat、Pavel B. Tsitovitch、Vivek Bodani、R. Daniel Toogood、R. Scott Murphy

  DOI：10.1016/j.jphotochem.2010.04.013

  日期：2010.5

  Photochromic dithienylethenes that possess elements of lipid complementarity, and undergo large, photoinduced changes in molecular geometry have been prepared. Further, a regioselective approach has been developed for the preparation of dithienylethenes containing phenylethynyl and various aryl substituents at C2 and C5 of the thiophene moieties, respectively. The prepared photochromic compounds were

  已经制备了具有脂质互补元素并经历了分子几何中的大的光诱导变化的光致变色二噻吩基乙烯。此外，已经开发了区域选择性方法用于制备分别在噻吩部分的C 2和C 5处含有苯基乙炔基和各种芳基取代基的二噻吩基乙烯。观察到制备的光致变色化合物经历可逆的光异构化。它们的吸收性质，反应的量子产率，并且在photoconversions测定Ñ正己烷。