2-methyl-4-(4-ethoxyphenylethynyl)bromobenzene | 918150-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-methyl-4-(4-ethoxyphenylethynyl)bromobenzene
• 英文别名: 4-Bromo-1-[(4-ethoxyphenyl)ethynyl]-2-methylbenzene；4-bromo-1-[2-(4-ethoxyphenyl)ethynyl]-2-methylbenzene
• CAS: 918150-44-4
• 化学式: C₁₇H₁₅BrO
• 分子量: 315.209
• InChiKey: NSRVNTODAVRXFT-UHFFFAOYSA-N

物化性质

• 沸点：
  409.1±45.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-4-(4-ethoxyphenylethynyl)bromobenzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 、 对苯二酚 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 32.0h， 生成 6-[4-[2-methyl-4-[3-methyl-4-(4-ethoxyphenylethynyl)phenylethynyl]phenylazo]phenoxy]hexyl methacrylate
  参考文献：
  名称：

  Azotolane Liquid-Crystalline Polymers:  Huge Change in Birefringence by Photoinduced Alignment Change

  摘要：

  Novel liquid-crystalline polymers (LCPs) containing a long azotolane moiety were synthesized, and the relationship between the chemical structures and the photoresponsive behavior was investigated. All homogeneously aligned LCP films exhibited extremely high values of birefringence (Deltan) in the wide wavelength range. Specifically, the azotolane LCP with two azobenzene units showed the most efficient change in the alignment of the azotolane moiety with a huge change in Deltan (>/=0.65). This means that the high value of Deltan in the homogeneously aligned state can be converted to the change in Deltan effectively.

  DOI：

  10.1021/ja0664382
• 作为产物：
  描述：

  5-溴-2-碘甲苯 、 4-乙炔基苯乙醚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以72%的产率得到2-methyl-4-(4-ethoxyphenylethynyl)bromobenzene
  参考文献：
  名称：

  Azotolane Liquid-Crystalline Polymers:  Huge Change in Birefringence by Photoinduced Alignment Change

  摘要：

  Novel liquid-crystalline polymers (LCPs) containing a long azotolane moiety were synthesized, and the relationship between the chemical structures and the photoresponsive behavior was investigated. All homogeneously aligned LCP films exhibited extremely high values of birefringence (Deltan) in the wide wavelength range. Specifically, the azotolane LCP with two azobenzene units showed the most efficient change in the alignment of the azotolane moiety with a huge change in Deltan (>/=0.65). This means that the high value of Deltan in the homogeneously aligned state can be converted to the change in Deltan effectively.

  DOI：

  10.1021/ja0664382