1,2-bis[2-methyl-5-(p-ethoxylphenyl)-3-thienyl]perfluorocyclopentene | 860813-22-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-bis[2-methyl-5-(p-ethoxylphenyl)-3-thienyl]perfluorocyclopentene
• 英文别名: 5-(4-Ethoxyphenyl)-3-[2-[5-(4-ethoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
• CAS: 860813-22-5
• 化学式: C₃₁H₂₆F₆O₂S₂
• 分子量: 608.669
• InChiKey: ZIBZZXYYVGEXRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2-bis[2-methyl-5-(p-ethoxylphenyl)-3-thienyl]perfluorocyclopentene 生成 (9aR,9bS)-2,8-Bis-(4-ethoxy-phenyl)-4,4,5,5,6,6-hexafluoro-9a,9b-dimethyl-5,6,9a,9b-tetrahydro-4H-1,9-dithia-trindene
  参考文献：
  名称：

  Syntheses and optoelectronic properties of four photochromic dithienylethenes

  摘要：

  Four photochromic dithienylethene compounds, 1,2-bis(2-methyl-5-naphthalene-3-thienyl)perfluorocyclopentene 1a, 1,2-bis[2-methyl-5(p-fluorophenyl)-3-thienyl]perfluorocyclopentene 2a, 1,2-bis[2-methyl-5(p-ethoxyphenyl)-3-thienyl]perfluorocyclopentene 3a, and 1,2-bis[2-methyl-5(p-N,N-dimethylaminophenyl)-3-thienyl]perfluorocyclopentene 4a were synthesized, and their optoelectronic properties, such as photochromism in solution as well as in poly-methylmethacrylate (PMMA) amorphous films, fluorescences and electrochemical properties were investigated in detail. These dithienylethenes have shown good photochromic behavior both in solution and in PMMA amorphous film. All of them exhibited relatively strong fluorescence and gave a bathochromic shift upon increasing concentration in THF. The irreversible anodic oxidation of la, 2a and 4a was observed by performing cyclic voltammetry experiments. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.04.044
• 作为产物：
  描述：

  4-溴苯乙醚 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1,2-bis[2-methyl-5-(p-ethoxylphenyl)-3-thienyl]perfluorocyclopentene
  参考文献：
  名称：

  Syntheses and optoelectronic properties of four photochromic dithienylethenes

  摘要：

  Four photochromic dithienylethene compounds, 1,2-bis(2-methyl-5-naphthalene-3-thienyl)perfluorocyclopentene 1a, 1,2-bis[2-methyl-5(p-fluorophenyl)-3-thienyl]perfluorocyclopentene 2a, 1,2-bis[2-methyl-5(p-ethoxyphenyl)-3-thienyl]perfluorocyclopentene 3a, and 1,2-bis[2-methyl-5(p-N,N-dimethylaminophenyl)-3-thienyl]perfluorocyclopentene 4a were synthesized, and their optoelectronic properties, such as photochromism in solution as well as in poly-methylmethacrylate (PMMA) amorphous films, fluorescences and electrochemical properties were investigated in detail. These dithienylethenes have shown good photochromic behavior both in solution and in PMMA amorphous film. All of them exhibited relatively strong fluorescence and gave a bathochromic shift upon increasing concentration in THF. The irreversible anodic oxidation of la, 2a and 4a was observed by performing cyclic voltammetry experiments. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.04.044