Boronic acid, [1,3-propanediylbis(iminomethylene-2,1-phenylene)]bis- | 561052-57-1

• 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: Boronic acid, [1,3-propanediylbis(iminomethylene-2,1-phenylene)]bis-
• 英文别名: [2-[[3-[(2-boronophenyl)methylamino]propylamino]methyl]phenyl]boronic acid
• CAS: 561052-57-1
• 化学式: C₁₇H₂₄B₂N₂O₄
• 分子量: 342.011
• InChiKey: HGMQVEXHJKWFGC-UHFFFAOYSA-N

物化性质

• 熔点：
  158-164 °C
• 沸点：
  615.5±65.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.68
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-甲酰基苯硼酸 、 1,3-丙二胺 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以70%的产率得到Boronic acid, [1,3-propanediylbis(iminomethylene-2,1-phenylene)]bis-
  参考文献：
  名称：

  Boronate derivatives of bioactive amines: potential neutral receptors for anionic oligosaccharides

  摘要：

  Oligomeric delta-aminoboronates were synthesized via reductive amination of o-formylbenzene boronic acid with several polymines. The process entails the direct addition of o-formylbenzene boronic acid to the polyamine in methanol at room temperature followed by reduction of the resulting imine with NaBH4. Di-, tri-, and tetrameric delta-aminoboronates have been prepared in this manner and these are anticipated to have enhanced affinities for certain oligosaccharides. A novel templating method for the synthesis of these compounds is also described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00616-6