4,4,5,5,6,6-Hexafluoro-1-thiophen-2-yl-3-(5-tridecafluorohexyl-thiophen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene | 916502-56-2

• 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-1-thiophen-2-yl-3-(5-tridecafluorohexyl-thiophen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
• 英文别名: 4,4,5,5,6,6-Hexafluoro-1-thiophen-2-yl-3-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]cyclopenta[c]thiophene；4,4,5,5,6,6-hexafluoro-1-thiophen-2-yl-3-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]cyclopenta[c]thiophene
• CAS: 916502-56-2
• 化学式: C₂₁H₅F₁₉S₃
• 分子量: 714.438
• InChiKey: FMYLSCJFXZXGDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  4,4,5,5,6,6-Hexafluoro-1-thiophen-2-yl-3-(5-tridecafluorohexyl-thiophen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene 在 碘 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以98%的产率得到4,4,5,5,6,6-Hexafluoro-1-(5-iodo-thiophen-2-yl)-3-(5-tridecafluorohexyl-thiophen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
  参考文献：
  名称：

  Electronegative Oligothiophenes Based on a Hexafluorocyclopentene-Annelated Thiophene Unit

  摘要：

  [GRAPHICS]The synthesis of hexafluorocyclopenta[c] thiophene and its based oligothiophenes is described. The effectiveness of a hexafluorocyclopentene unit to lower the LUMO level without disturbing the effective conjugation could be unambiguously clarified by spectroscopic measurements and X-ray analysis.

  DOI：

  10.1021/ol062238j
• 作为产物：
  描述：

  1,6-dibromo-3,3,4,4,5,5-hexafluorocyclopenta[c]thiophene 、 2-(tri-n-butylstannyl)-5-(1-perfluorohexyl)thiophene 、 2-三丁基甲锡烷基噻吩 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以49%的产率得到TFT
  参考文献：
  名称：

  Electronegative Oligothiophenes Based on a Hexafluorocyclopentene-Annelated Thiophene Unit

  摘要：

  [GRAPHICS]The synthesis of hexafluorocyclopenta[c] thiophene and its based oligothiophenes is described. The effectiveness of a hexafluorocyclopentene unit to lower the LUMO level without disturbing the effective conjugation could be unambiguously clarified by spectroscopic measurements and X-ray analysis.

  DOI：

  10.1021/ol062238j

文献信息

• Electronegative Oligothiophenes Based on a Hexafluorocyclopentene-Annelated Thiophene Unit
  作者：Yutaka Ie、Yoshikazu Umemoto、Takahiro Kaneda、Yoshio Aso

  DOI：10.1021/ol062238j

  日期：2006.11.9

  [GRAPHICS]The synthesis of hexafluorocyclopenta[c] thiophene and its based oligothiophenes is described. The effectiveness of a hexafluorocyclopentene unit to lower the LUMO level without disturbing the effective conjugation could be unambiguously clarified by spectroscopic measurements and X-ray analysis.