1-[2-[4-(7-Bromoheptoxy)phenyl]ethynyl]-2,3,4-tridodecoxybenzene | 945223-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[2-[4-(7-Bromoheptoxy)phenyl]ethynyl]-2,3,4-tridodecoxybenzene
• 英文别名: 1-[2-[4-(7-bromoheptoxy)phenyl]ethynyl]-2,3,4-tridodecoxybenzene
• CAS: 945223-50-7
• 化学式: C₅₇H₉₅BrO₄
• 分子量: 924.283
• InChiKey: UTICKWAJQJIFDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.3
• 重原子数：
  62
• 可旋转键数：
  46
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-[4-(7-Bromoheptoxy)phenyl]ethynyl]-2,3,4-tridodecoxybenzene 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 54.0h， 生成 1-[2-[4-[6-[4-[4-(5-Bromopentoxy)phenyl]phenoxy]hexoxy]phenyl]ethynyl]-2,3,4-tridodecoxybenzene
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p
• 作为产物：
  描述：

  1,7-二溴庚烷 、 4-[(2,3,4-tridodecyloxy)phenylethynyl]phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以78%的产率得到1-[2-[4-(7-Bromoheptoxy)phenyl]ethynyl]-2,3,4-tridodecoxybenzene
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p