4,4''-Ethynylenebis[4'-[4-[2-[5-[4-[[(3S)-3,7-dimethyloctyl]oxy]phenyl]-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]-1,1'-biphenyl] | 1221272-65-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4''-Ethynylenebis[4'-[4-[2-[5-[4-[[(3S)-3,7-dimethyloctyl]oxy]phenyl]-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]-1,1'-biphenyl]
• 英文别名: 3-[2-[5-[4-[(3S)-3,7-dimethyloctoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[4-[4-[2-[4-[4-[4-[2-[5-[4-[(3S)-3,7-dimethyloctoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]phenyl]ethynyl]phenyl]phenyl]-2-methylthiophene
• CAS: 1221272-65-6
• 化学式: C₈₈H₈₂F₁₂O₂S₄
• 分子量: 1527.86
• InChiKey: DBQJUWKPJFGNLW-PJYGOTMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28
• 重原子数：
  106
• 可旋转键数：
  28
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  4,4''-Ethynylenebis[4'-[4-[2-[5-[4-[[(3S)-3,7-dimethyloctyl]oxy]phenyl]-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]-1,1'-biphenyl] 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Symmetric Six-Fold Arrays of Photo- and Electrochromic Dithienylethene Switches

  摘要：

  The direct synthesis of six-fold symmetric hexaphenylbenzenes with multiple photochromic dithienylethene units via a cobalt-catalyzed cyclotrimerization is reported. This approach allows for six photochromic units to be held in proximity with a well-defined spatial separation without affecting the photochromic properties of each unit.

  DOI：

  10.1021/ol1006295
• 作为产物：
  描述：

  3-[2-[5-[4-(4-bromophenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[4-[(3S)-3,7-dimethyloctoxy]phenyl]-2-methylthiophene 、 二(三正丁基甲锡烷基)乙炔 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以66%的产率得到4,4''-Ethynylenebis[4'-[4-[2-[5-[4-[[(3S)-3,7-dimethyloctyl]oxy]phenyl]-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]-1,1'-biphenyl]
  参考文献：
  名称：

  Symmetric Six-Fold Arrays of Photo- and Electrochromic Dithienylethene Switches

  摘要：

  The direct synthesis of six-fold symmetric hexaphenylbenzenes with multiple photochromic dithienylethene units via a cobalt-catalyzed cyclotrimerization is reported. This approach allows for six photochromic units to be held in proximity with a well-defined spatial separation without affecting the photochromic properties of each unit.

  DOI：

  10.1021/ol1006295