poly(1,4-butanediol)bis(4-aminobenzoate) | 54667-76-4

• 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: poly(1,4-butanediol)bis(4-aminobenzoate)
• 英文别名: PBBA；4-[4-[4-(4-Aminobenzoyl)oxybutoxy]butoxy]butyl 4-aminobenzoate
• CAS: 54667-76-4
• 化学式: C₂₆H₃₆N₂O₆
• 分子量: 472.582
• InChiKey: ZRGCXCZTHUAPPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  poly(1,4-butanediol)bis(4-aminobenzoate) 、 对苯基苯甲醛 反应 24.0h， 以88%的产率得到4,4'-(butane-1,4-dyilbis(oxy)bis(butane-4,1-diyl)-bis(4-(biphenyl-4-ylmethyleneamino)benzoate))
  参考文献：
  名称：

  Thermal, optical, electrical and structural study of new symmetrical azomethine based on poly(1,4-butanediol)bis(4-aminobenzoate)

  摘要：

  The synthesis, characterization and mesomorphism of new thermotropic imine prepared via condensation of biphenyl-4-carboxaldehyde with poly(1,4-butanediol)bis(4-aminobenzoate) was reported. The structure of imine was characterized by means FIFIR, H-1, C-13 NMR spectroscopy and elemental analysis; the results show an agreement with the proposed structure. The differential scanning calorimetry, polarizing optical microscopy and X-ray diffraction (WAXRD, SAXRD) were employed to evaluate their phase transitional behavior. The imine exhibited smectic A (SmA) and smectic B (SmB) mesophases. Liquid crystalline properties of the azomethine were studied additionally via UV-vis spectroscopy in the function of temperature (UV-vis(T)). The compound has one emission band at 360 nm and thermoluminescence emission occurs at about 500-600 nm wavelengths. Current-voltage measurements were performed on ITO/AZ/Alq(3)/Al device with three different thickness of the film. (c) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.10.031
• 作为产物：
  描述：

  2,5-二甲氧基四氢呋喃 在 硼烷四氢呋喃络合物 、 对甲苯磺酸 作用下， 反应 73.0h， 生成 poly(1,4-butanediol)bis(4-aminobenzoate)
  参考文献：
  名称：

  JP2016/88904

  摘要：

  公开号：