1,6-bis-[4-(4-{2-[5-(4-dodecyloxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-enyl}-5-methylthiophen-2-yl)]benzoic acid (pyrene-1,6-diyl)bis(butane-1,4-diyl) ester | 1046785-14-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,6-bis-[4-(4-{2-[5-(4-dodecyloxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-enyl}-5-methylthiophen-2-yl)]benzoic acid (pyrene-1,6-diyl)bis(butane-1,4-diyl) ester
• 英文别名: 4-[6-[4-[4-[4-[2-[5-(4-Dodecoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]benzoyl]oxybutyl]pyren-1-yl]butyl 4-[4-[2-[5-(4-dodecoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]benzoate；4-[6-[4-[4-[4-[2-[5-(4-dodecoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]benzoyl]oxybutyl]pyren-1-yl]butyl 4-[4-[2-[5-(4-dodecoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]benzoate
• CAS: 1046785-14-1
• 化学式: C₁₀₄H₁₀₆F₁₂O₆S₄
• 分子量: 1808.23
• InChiKey: NHSCWGISHVOVRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.9
• 重原子数：
  126
• 可旋转键数：
  46
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  184
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  1,6-bis-[4-(4-{2-[5-(4-dodecyloxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-enyl}-5-methylthiophen-2-yl)]benzoic acid (pyrene-1,6-diyl)bis(butane-1,4-diyl) ester 生成 、
  参考文献：
  名称：

  Reversible Photoinduced Change in Molecular Ordering of Diarylethene Derivatives at a Solution−HOPG Interface

  摘要：

  A diarylethene-pyrene diad and a diarylethene-pyrene-diaryiethene triad were synthesized to investigate the photoinduced two-dimensional ordering change at a solution-HOPG interface. The molecular arrangements were detected by STM. The different photochromic isomers showed different orderings reflecting the differences in their molecular structures. For the diaryiethene-pyrene-diarylethene triad, a new ordering appeared upon irradiation with UV light and returned to the original ordering upon subsequent irradiation with visible light. The new arrangement was assigned to the ordering of the closed-closed isomers based on the images of the isolated open- and closed-isomers. The relationship between the nature of the two-dimensional ordering and the molecular structure is discussed.

  DOI：

  10.1021/ja711041p
• 作为产物：
  描述：

  4-[6-(4-hydroxybutyl)pyren-1-yl]butan-1-ol 、 4-(4-{2-[-5-(4-dodecyloxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-enyl}-5-methylthiophen-2-yl)benzoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以45%的产率得到1,6-bis-[4-(4-{2-[5-(4-dodecyloxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-enyl}-5-methylthiophen-2-yl)]benzoic acid (pyrene-1,6-diyl)bis(butane-1,4-diyl) ester
  参考文献：
  名称：

  Reversible Photoinduced Change in Molecular Ordering of Diarylethene Derivatives at a Solution−HOPG Interface

  摘要：

  A diarylethene-pyrene diad and a diarylethene-pyrene-diaryiethene triad were synthesized to investigate the photoinduced two-dimensional ordering change at a solution-HOPG interface. The molecular arrangements were detected by STM. The different photochromic isomers showed different orderings reflecting the differences in their molecular structures. For the diaryiethene-pyrene-diarylethene triad, a new ordering appeared upon irradiation with UV light and returned to the original ordering upon subsequent irradiation with visible light. The new arrangement was assigned to the ordering of the closed-closed isomers based on the images of the isolated open- and closed-isomers. The relationship between the nature of the two-dimensional ordering and the molecular structure is discussed.

  DOI：

  10.1021/ja711041p

文献信息

• Reversible Photoinduced Change in Molecular Ordering of Diarylethene Derivatives at a Solution−HOPG Interface
  作者：Ryota Arai、Shinobu Uemura、Masahiro Irie、Kenji Matsuda

  DOI：10.1021/ja711041p

  日期：2008.7.1

  A diarylethene-pyrene diad and a diarylethene-pyrene-diaryiethene triad were synthesized to investigate the photoinduced two-dimensional ordering change at a solution-HOPG interface. The molecular arrangements were detected by STM. The different photochromic isomers showed different orderings reflecting the differences in their molecular structures. For the diaryiethene-pyrene-diarylethene triad, a new ordering appeared upon irradiation with UV light and returned to the original ordering upon subsequent irradiation with visible light. The new arrangement was assigned to the ordering of the closed-closed isomers based on the images of the isolated open- and closed-isomers. The relationship between the nature of the two-dimensional ordering and the molecular structure is discussed.