27-6N6Ox | 1193305-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 27-6N6Ox
• 英文别名: 2-[4-[6-(7-Hexoxynaphthalen-2-yl)oxyhexoxy]phenyl]-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-oxadiazole；2-[4-[6-(7-hexoxynaphthalen-2-yl)oxyhexoxy]phenyl]-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-oxadiazole
• CAS: 1193305-31-5
• 化学式: C₅₀H₆₀N₂O₅
• 分子量: 769.037
• InChiKey: YASAZYRSAOZKGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  57
• 可旋转键数：
  26
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-hexyloxy-2-hydroxynaphthalene 、 2-(4-((6-bromohexyl)oxy)phenyl)-5-(4'-(octyloxy)-[1,1'-biphenyl]-4-yl)-1,3,4-oxadiazole 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以82%的产率得到27-6N6Ox
  参考文献：
  名称：

  Synthesis and Optical Properties of Luminescent Naphthalene-based Liquid Crystals

  摘要：

  Luminescent naphthalene-based liquid crystals were newly synthesized and changes of the luminescent color through the phase transitions were characterized. We prepared the compounds by combining naphthalene and known mesogenic cores, oxadiazole and fluorocyanobiphenyl, using methylene spacers. Both oxadiazole-naphthalene and fluorocyanobiphenyl-naphthalene series showed bluish luminescence in all phases. Among them, the emission peaks of 3-fluoro-4-cyano-4 '-[8-(6-hexyloxy-2-naphthyloxy)octyloxy]biphenyl in the liquid crystal and isotropic liquid states showed significant red shifts compared to that in the crystal state, which was due to specific interaction between the electron rich naphthalene and electron deficient fluorocyanobiphenyl cores.

  DOI：

  10.1080/15421400802219254

文献信息

• Synthesis and Optical Properties of Luminescent Naphthalene-based Liquid Crystals
  作者：Takeshi Mori、Masashi Kijima

  DOI：10.1080/15421400802219254

  日期：2008.9.2

  Luminescent naphthalene-based liquid crystals were newly synthesized and changes of the luminescent color through the phase transitions were characterized. We prepared the compounds by combining naphthalene and known mesogenic cores, oxadiazole and fluorocyanobiphenyl, using methylene spacers. Both oxadiazole-naphthalene and fluorocyanobiphenyl-naphthalene series showed bluish luminescence in all phases. Among them, the emission peaks of 3-fluoro-4-cyano-4 '-[8-(6-hexyloxy-2-naphthyloxy)octyloxy]biphenyl in the liquid crystal and isotropic liquid states showed significant red shifts compared to that in the crystal state, which was due to specific interaction between the electron rich naphthalene and electron deficient fluorocyanobiphenyl cores.