2-{4'-(6-methacryloyloxy-1-hexyloxy)biphenyl-4-yl}-5-(4-N,N-diphenylaminophenyl)-1,3,4-oxadiazole | 521971-76-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-{4'-(6-methacryloyloxy-1-hexyloxy)biphenyl-4-yl}-5-(4-N,N-diphenylaminophenyl)-1,3,4-oxadiazole
• 英文别名: 6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
• CAS: 521971-76-6
• 化学式: C₄₂H₃₉N₃O₄
• 分子量: 649.789
• InChiKey: LXTWVKVNPLXHNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  49
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-溴正己醇 在 吡啶 、 氢氧化钾 、 氯化亚砜 、 对甲苯磺酸一水合物 、 对苯二酚 、 potassium iodide 作用下， 以 甲醇 、 水 、 苯 为溶剂， 反应 50.0h， 生成 2-{4'-(6-methacryloyloxy-1-hexyloxy)biphenyl-4-yl}-5-(4-N,N-diphenylaminophenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  A Novel Class of Photo- and Electroactive Polymers Containing Oxadiazole and Amine Moieties in a Side Chain

  摘要：

  A new class of photo- and electroactive polymer materials showing an liquid-crystalline (LC) phase were designed and synthesized: four kinds of polymers with both oxadiazole and arylamine moieties as carrier-transporting groups in the side chain. Among them, the polymers with a dimethylamine and a methylcarbazole moiety show LC phases. Furthermore, all the polymers emitted strong blue fluorescence, and their fluorescent quantum yields were over 0.6. The aligned sample of the polymer with the carbazole moiety emitted polarized fluorescence at room temperature. One-layer type electroluminescent (EL) devices were fabricated by using the polymer with a triphenylamine moiety, which exhibited the highest quantum yield (similar to0.82), and found to emit the EL emission at blue region.

  DOI：

  10.1021/ma021406u

文献信息

• A Novel Class of Photo- and Electroactive Polymers Containing Oxadiazole and Amine Moieties in a Side Chain
  作者：Hiroyuki Mochizuki、Takahiro Hasui、Masuki Kawamoto、Tomiki Ikeda、Chihaya Adachi、Yoshio Taniguchi、Yasuhiko Shirota

  DOI：10.1021/ma021406u

  日期：2003.5.1

  A new class of photo- and electroactive polymer materials showing an liquid-crystalline (LC) phase were designed and synthesized: four kinds of polymers with both oxadiazole and arylamine moieties as carrier-transporting groups in the side chain. Among them, the polymers with a dimethylamine and a methylcarbazole moiety show LC phases. Furthermore, all the polymers emitted strong blue fluorescence, and their fluorescent quantum yields were over 0.6. The aligned sample of the polymer with the carbazole moiety emitted polarized fluorescence at room temperature. One-layer type electroluminescent (EL) devices were fabricated by using the polymer with a triphenylamine moiety, which exhibited the highest quantum yield (similar to0.82), and found to emit the EL emission at blue region.