2-(4-(dodecyloxy)phenyl)-5-(4-(5-(3,4,5-tris(dodecyloxy)phenyl)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazole | 1361152-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-(dodecyloxy)phenyl)-5-(4-(5-(3,4,5-tris(dodecyloxy)phenyl)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazole
• 英文别名: 2-(4-Dodecoxyphenyl)-5-[4-[5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole；2-(4-dodecoxyphenyl)-5-[4-[5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
• CAS: 1361152-18-2
• 化学式: C₇₀H₁₁₀N₄O₆
• 分子量: 1103.67
• InChiKey: NFMVOQDLGXFXOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.4
• 重原子数：
  80
• 可旋转键数：
  52
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-氯甲酰基苯甲酸甲酯 在 吡啶 、 氯化亚砜 、 水 、 sodium hydroxide 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 dichlorometahne 为溶剂， 反应 110.0h， 生成 2-(4-(dodecyloxy)phenyl)-5-(4-(5-(3,4,5-tris(dodecyloxy)phenyl)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis and Luminescence Properties of a Lollipop-Shaped Molecule Combined with Rod and Disc-Like Mesogens

  摘要：

  A novel lollipop-shaped molecule containing 1,3,4-oxadiazole moieties was designed and synthesized. The molecular structure of this 1,3,4-oxadiazole derivative was confirmed by FT-IR, H-1-NMR spectroscopy and elemental analyzer. Its phase behavior and mesomorphic property were investigated by DSC, POM and X-ray diffraction measurements. We found that this compound showed a typical mosaic texture of columnar phase during cooling run. The electron excitation and luminescence properties of this compound were investigated by UV-vis absorption spectroscopy and photo-luminescence spectroscopy both in CHCl3 solution and in solid state.

  DOI：

  10.1080/15421406.2011.600141

文献信息

• Synthesis and Luminescence Properties of a Lollipop-Shaped Molecule Combined with Rod and Disc-Like Mesogens
  作者：E-Joon Choi、Fei Xu、Jong-Ho Son、Wang-Cheol Zin

  DOI：10.1080/15421406.2011.600141

  日期：2011.11.4

  A novel lollipop-shaped molecule containing 1,3,4-oxadiazole moieties was designed and synthesized. The molecular structure of this 1,3,4-oxadiazole derivative was confirmed by FT-IR, H-1-NMR spectroscopy and elemental analyzer. Its phase behavior and mesomorphic property were investigated by DSC, POM and X-ray diffraction measurements. We found that this compound showed a typical mosaic texture of columnar phase during cooling run. The electron excitation and luminescence properties of this compound were investigated by UV-vis absorption spectroscopy and photo-luminescence spectroscopy both in CHCl3 solution and in solid state.