1-(2-ethyl-3-benzofuranyl)-2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]perfluorocyclopentene | 1248518-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1-(2-ethyl-3-benzofuranyl)-2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]perfluorocyclopentene
• 英文别名: 4-[4-[2-(2-Ethylbenzofuran-3-yl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]anisole；2-ethyl-3-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-1-benzofuran
• CAS: 1248518-29-7
• 化学式: C₂₇H₂₀F₆O₂S
• 分子量: 522.511
• InChiKey: MMZDCEKFZGTLIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(2-ethyl-3-benzofuranyl)-2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]perfluorocyclopentene 在 polymethylmethacrylate(PMMA) film 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Photochromism of new unsymmetrical diarylethene derivatives bearing both benzofuran and thiophene moieties

  摘要：

  A new class of unsymmetrical photochromic diarylethenes bearing both benzofuran and thiophene moieties was synthesized and the effects of substitution on their properties were discussed systematically. Two compounds among them show distinctly different conformation in the single crystalline phase: one crystallizes with an anti-parallel conformation which exhibit good photochromism, whereas the other crystallizes with a parallel conformation which exhibits no photochromism in the crystalline phase. Each of the compounds exhibited remarkable photochromism and functioned as a fluorescent switch in both solution and PMMA films. The electron-donating groups significantly increased the cyclization quantum yield, depressed the cycloreversion quantum yield, shifted the emission peak to a longer wavelength, and decreased the emission intensity; while the electron-withdrawing groups functioned as an inverse action for these diarylethene derivatives. The cyclic voltammograms results revealed that these diarylethenes exhibited evident electrochromism during electrolysis and the oxidative cyclization is thermodynamically. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.003
• 作为产物：
  描述：

  在 polymethylmethacrylate(PMMA) film 作用下， 以 氯仿 为溶剂， 生成 1-(2-ethyl-3-benzofuranyl)-2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]perfluorocyclopentene
  参考文献：
  名称：

  Photochromism of new unsymmetrical diarylethene derivatives bearing both benzofuran and thiophene moieties

  摘要：

  A new class of unsymmetrical photochromic diarylethenes bearing both benzofuran and thiophene moieties was synthesized and the effects of substitution on their properties were discussed systematically. Two compounds among them show distinctly different conformation in the single crystalline phase: one crystallizes with an anti-parallel conformation which exhibit good photochromism, whereas the other crystallizes with a parallel conformation which exhibits no photochromism in the crystalline phase. Each of the compounds exhibited remarkable photochromism and functioned as a fluorescent switch in both solution and PMMA films. The electron-donating groups significantly increased the cyclization quantum yield, depressed the cycloreversion quantum yield, shifted the emission peak to a longer wavelength, and decreased the emission intensity; while the electron-withdrawing groups functioned as an inverse action for these diarylethene derivatives. The cyclic voltammograms results revealed that these diarylethenes exhibited evident electrochromism during electrolysis and the oxidative cyclization is thermodynamically. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.003