4-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1,2,4-triazole | 1255774-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1,2,4-triazole
• 英文别名: 4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1,2,4-triazole
• CAS: 1255774-64-1
• 化学式: C₁₆H₂₁N₃O₅
• 分子量: 335.36
• InChiKey: LJKYJOCXCXRFOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4'-氨基苯并-15-冠-5-醚 、 二甲酰肼 在 对苯二酚 作用下， 反应 5.0h， 以23%的产率得到4-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of n-Type π-Conjugated Polymers with Pendant Crown Ether and Their Stability of n-Doping State against Air

  摘要：

  The n-type pi conjugated polymers with a 1,2,4-triazole ring substituted by a benzo-15 crown 5 ether (benzo15C5) subunit at the 4-position of the 1 2,4-triazole ring were synthesized by organometallic polycondensations The UV-vis spectra of the polymers exhibited absorption maxima (lambda(max) values) at a longer wavelength than that exhibited by 4-benzo 15C5-1,2,4 triazole (model-1) revealing that their pi conjugation system was expanded along the polymer chain The electric conductivity measurements suggested that model 1 formed inclusion adducts with 1 1 and 2 1 molar ratios with Na(+) and K(+), respectively Addition of KClO(4) to the DMSO solutions of the polymers with the benzo15C5 subunit caused the formation of the 2 1 inclusion between the 15C5 ring and K(+), this inclusion led to a bathochromic shift in lambda(max) of the polymers In addition, photoluminescence intensity of the polymers decreased after the addition of KClO(4) to solution The polymers with the benzo15C5 subunit underwent an electrochemical reduction (n-doping), and the corresponding oxidation (n-dedoping) occurred at an unusually high potential in an acetonitrile solution of NaClO(4), the factor responsible for the unusually high oxidation potential was the stabilized n-doping state that was attributed to the inclusion of Na(+) in the 15C5 ring The electric conductivities of the polymers were increased by n-doping with sodium naphthalenide The polymers with the benzo15C5 subunit exhibited a considerably higher stability of the n doping state in air than did those without this subunit

  DOI：

  10.1021/ma101731v