4,4,5,5,6,6-Hexafluoro-3-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophene | 928846-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 4,4,5,5,6,6-Hexafluoro-3-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophene
• 英文别名: 4,4,5,5,6,6-hexafluoro-3-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophene
• CAS: 928846-21-3
• 化学式: C₁₄H₂F₁₂S₂
• 分子量: 462.283
• InChiKey: BQKCEDUBOJZXBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  4,4,5,5,6,6-Hexafluoro-3-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophene 在 正丁基锂 、 iron(III) acetylacetonate 作用下， 以 乙醚 、 四氢呋喃 为溶剂， 反应 1.5h， 以45%的产率得到4,4,5,5,6,6-Hexafluoro-1-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)-3-[4,4,5,5,6,6-hexafluoro-1-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophen-3-yl]cyclopenta[c]thiophene
  参考文献：
  名称：

  Electronegative Oligothiophenes Fully Annelated with Hexafluorocyclopentene:  Synthesis, Properties, and Intrinsic Electron Mobility

  摘要：

  Synthesis of hexafluorocyclopenta[c]thiophene-repeated oligothiophenes up to 6-mer has been accomplished. The photophysical and electrochemical properties of these oligomers unambiguously exemplify marked electronegative character without disrupting the effective conjugation. The combination of time-resolved microwave conductivity and transient optical spectroscopy measurements of the 6-mer revealed the intrinsic electron mobility to be as high as 2.0 x 10(-1) cm(2) V-1 S-1.

  DOI：

  10.1021/ol703016g
• 作为产物：
  描述：

  [4,4,5,5,6,6-Hexafluoro-1-[4,4,5,5,6,6-hexafluoro-3-tri(propan-2-yl)silylcyclopenta[c]thiophen-1-yl]cyclopenta[c]thiophen-3-yl]-tri(propan-2-yl)silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以86%的产率得到4,4,5,5,6,6-Hexafluoro-3-(4,4,5,5,6,6-hexafluorocyclopenta[c]thiophen-3-yl)cyclopenta[c]thiophene
  参考文献：
  名称：

  Electronegative Oligothiophenes Fully Annelated with Hexafluorocyclopentene:  Synthesis, Properties, and Intrinsic Electron Mobility

  摘要：

  Synthesis of hexafluorocyclopenta[c]thiophene-repeated oligothiophenes up to 6-mer has been accomplished. The photophysical and electrochemical properties of these oligomers unambiguously exemplify marked electronegative character without disrupting the effective conjugation. The combination of time-resolved microwave conductivity and transient optical spectroscopy measurements of the 6-mer revealed the intrinsic electron mobility to be as high as 2.0 x 10(-1) cm(2) V-1 S-1.

  DOI：

  10.1021/ol703016g