2-[2-[[5-[5-[2-(2-Hydroxyethoxy)ethoxymethyl]thiophen-2-yl]thiophen-2-yl]methoxy]ethoxy]ethanol | 1020654-23-2

• 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: 2-[2-[[5-[5-[2-(2-Hydroxyethoxy)ethoxymethyl]thiophen-2-yl]thiophen-2-yl]methoxy]ethoxy]ethanol
• 英文别名: 2-[2-[[5-[5-[2-(2-hydroxyethoxy)ethoxymethyl]thiophen-2-yl]thiophen-2-yl]methoxy]ethoxy]ethanol
• CAS: 1020654-23-2
• 化学式: C₁₈H₂₆O₆S₂
• 分子量: 402.533
• InChiKey: BKXMLVYNJLWHDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[2-[[5-[5-[2-(2-Hydroxyethoxy)ethoxymethyl]thiophen-2-yl]thiophen-2-yl]methoxy]ethoxy]ethanol 、 三异丙基硅基三氟甲磺酸酯 、 cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) 在 2,6-二甲基吡啶 作用下， 以 乙腈 为溶剂， 以15%的产率得到
  参考文献：
  名称：

  Thiophene Donor−Acceptor [2]Rotaxanes

  摘要：

  A series of the thiophene donor-acceptor [2]rotaxanes have been synthesized based on the inclusion complexes of cyclobis(paraquat-p-phenylene) (CBPQT(4+)) with thiophene, bithiophene, and terthiophene. The maximum wavelength of the charge-transfer band strongly depends on the number of thiophene units, while the association constant does not. These donor-acceptor pairs will be fascinating constituents for optoelectronic and electromechanical materials.

  DOI：

  10.1021/ol800624c
• 作为产物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 、 联硼酸新戊二醇酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以72%的产率得到2-[2-[[5-[5-[2-(2-Hydroxyethoxy)ethoxymethyl]thiophen-2-yl]thiophen-2-yl]methoxy]ethoxy]ethanol
  参考文献：
  名称：

  Thiophene Donor−Acceptor [2]Rotaxanes

  摘要：

  A series of the thiophene donor-acceptor [2]rotaxanes have been synthesized based on the inclusion complexes of cyclobis(paraquat-p-phenylene) (CBPQT(4+)) with thiophene, bithiophene, and terthiophene. The maximum wavelength of the charge-transfer band strongly depends on the number of thiophene units, while the association constant does not. These donor-acceptor pairs will be fascinating constituents for optoelectronic and electromechanical materials.

  DOI：

  10.1021/ol800624c

文献信息

• Thiophene Donor−Acceptor [2]Rotaxanes
  作者：Taichi Ikeda、Masayoshi Higuchi、Akira Sato、Dirk G. Kurth

  DOI：10.1021/ol800624c

  日期：2008.6.5

  A series of the thiophene donor-acceptor [2]rotaxanes have been synthesized based on the inclusion complexes of cyclobis(paraquat-p-phenylene) (CBPQT(4+)) with thiophene, bithiophene, and terthiophene. The maximum wavelength of the charge-transfer band strongly depends on the number of thiophene units, while the association constant does not. These donor-acceptor pairs will be fascinating constituents for optoelectronic and electromechanical materials.