5-ethynyl-5'-decyloxycarbonyl-[2,2']-bithiophene | 1058738-18-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-ethynyl-5'-decyloxycarbonyl-[2,2']-bithiophene
• 英文别名: Decyl 5-(5-ethynylthiophen-2-yl)thiophene-2-carboxylate
• CAS: 1058738-18-3
• 化学式: C₂₁H₂₆O₂S₂
• 分子量: 374.568
• InChiKey: JKSKYXYSYGVEQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  25
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  82.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-ethynyl-5'-decyloxycarbonyl-[2,2']-bithiophene 、 7',7'''-diiodo-[2',2''']-bis[spiro(cyclohexane-1,9',1'',9'''-fluorene)] 在 四(三苯基膦)钯 copper(l) iodide 、 二乙胺 作用下， 以27%的产率得到7'-iodo-7'''-(5-decyloxycarbonyl-[2,2']-bithien-5'-yl-ethynyl)-[2',2''']-bis[spiro(cyclohexane-1,9',1'',9'''-fluorene)]
  参考文献：
  名称：

  Synthesis of bifluorene-based molecular materials: effect of C-9 spirocyclohexane functionalization and end-group tailoring

  摘要：

  The preparation and properties of the first spirocyclohexane-functionalized bifluorene-based mono-dispersed molecular materials is described. The obtained compounds were characterized by (1)H NMR, (13)C[(1)H] NMR, IR, DSC, UV-vis and photoluminescence both in solution and in the solid state. The molecules show emissions ranging from the blue to the blue-green region, and higher glass transition temperatures and spectral stability with respect to the analogous compounds containing 9,9,9',9'-tetrahexyl-[2,2']-bifluorene core. The materials were used as active layers in electroluminescent devices with ITO/PEDOT-PSS/SB1-4/Ca/Al and ITO/PEDOT-PSS/SB1-4/BCP/Ca/Al configurations. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.098
• 作为产物：
  描述：

  5-trimethylsilylethynyl-5'-decyloxycarbonyl-[2,2']-bithiophene 在 甲醇 、 potassium fluoride 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以95%的产率得到5-ethynyl-5'-decyloxycarbonyl-[2,2']-bithiophene
  参考文献：
  名称：

  Synthesis of bifluorene-based molecular materials: effect of C-9 spirocyclohexane functionalization and end-group tailoring

  摘要：

  The preparation and properties of the first spirocyclohexane-functionalized bifluorene-based mono-dispersed molecular materials is described. The obtained compounds were characterized by (1)H NMR, (13)C[(1)H] NMR, IR, DSC, UV-vis and photoluminescence both in solution and in the solid state. The molecules show emissions ranging from the blue to the blue-green region, and higher glass transition temperatures and spectral stability with respect to the analogous compounds containing 9,9,9',9'-tetrahexyl-[2,2']-bifluorene core. The materials were used as active layers in electroluminescent devices with ITO/PEDOT-PSS/SB1-4/Ca/Al and ITO/PEDOT-PSS/SB1-4/BCP/Ca/Al configurations. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.098