| 1159364-26-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 1159364-26-7
• 化学式: C₂₀H₁₇N
• 分子量: 271.362
• InChiKey: MHQGEKNIVPUWMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-(2-bromoethynyl)-6-(hexyloxy)naphthalene 、 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 24.0h， 以42%的产率得到4-[2-[3-ethenyl-4-[4-(6-hexoxynaphthalen-2-yl)buta-1,3-diynyl]phenyl]ethynyl]-N,N-dimethylaniline
  参考文献：
  名称：

  Synthesis and properties of novel liquid crystalline materials with super high birefringence: styrene monomers bearing diacetylenes, naphthyl, and nitrogen-containing groups

  摘要：

  Three new liquid crystal asymmetrical styrene monomers bearing diacetylenes, naphthyl, and nitrogen-containing groups were successfully synthesized from 2-(bromoethynyl)-6-(hexyloxy)naphthalene, 4-(4-bromo-2-vinylphenyl)-2-methylbut-3-yn-2-ol, and derivatives of 4-ethynylaniline. The molecular structures of these compounds were confirmed by FIR, H-1 NMR spectroscopy, elemental analysis, and mass spectrometry. The liquid crystalline properties of monomers were characterized by differential scanning calorimetry and polarized light microscopy. Results indicated that all the compounds exhibited the nematic phase in liquid crystal state and super high optical birefringence of 0.5-0.8. The change of terminal nitrogen-containing group affected the birefringence values in the order of -N(CH3)(2)<-NH2<-NCS. Moreover, measurements using UV-vis and fluorescence spectroscopy showed their good photoluminescence properties and high quantum efficiency of 0.4-1.0. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.080
• 作为产物：
  描述：

  在 氢氧化钾 、 异丙醇 作用下， 反应 8.0h， 生成
  参考文献：
  名称：

  Synthesis and properties of novel liquid crystalline materials with super high birefringence: styrene monomers bearing diacetylenes, naphthyl, and nitrogen-containing groups

  摘要：

  Three new liquid crystal asymmetrical styrene monomers bearing diacetylenes, naphthyl, and nitrogen-containing groups were successfully synthesized from 2-(bromoethynyl)-6-(hexyloxy)naphthalene, 4-(4-bromo-2-vinylphenyl)-2-methylbut-3-yn-2-ol, and derivatives of 4-ethynylaniline. The molecular structures of these compounds were confirmed by FIR, H-1 NMR spectroscopy, elemental analysis, and mass spectrometry. The liquid crystalline properties of monomers were characterized by differential scanning calorimetry and polarized light microscopy. Results indicated that all the compounds exhibited the nematic phase in liquid crystal state and super high optical birefringence of 0.5-0.8. The change of terminal nitrogen-containing group affected the birefringence values in the order of -N(CH3)(2)<-NH2<-NCS. Moreover, measurements using UV-vis and fluorescence spectroscopy showed their good photoluminescence properties and high quantum efficiency of 0.4-1.0. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.080