N,N'-ethylenedi(amino-2-boronbenzylphosphonic) acid | 1268526-61-9

• 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: N,N'-ethylenedi(amino-2-boronbenzylphosphonic) acid
• 英文别名: [(2-Boronophenyl)-[2-[[(2-boronophenyl)-phosphonomethyl]amino]ethylamino]methyl]phosphonic acid；[(2-boronophenyl)-[2-[[(2-boronophenyl)-phosphonomethyl]amino]ethylamino]methyl]phosphonic acid
• CAS: 1268526-61-9
• 化学式: C₁₆H₂₄B₂N₂O₁₀P₂
• 分子量: 487.943
• InChiKey: AUCZEGGOOROOBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.86
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  232
• 氢给体数：
  10
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-甲酰基苯硼酸 在 bromotrimethylsilane 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N,N'-ethylenedi(amino-2-boronbenzylphosphonic) acid
  参考文献：
  名称：

  Preparation of a novel group of hybrid compounds N-benzyl aminoboronbenzylphosphonic and N,N′-ethylenedi(aminoboronbenzylphosphonic) acids

  摘要：

  Two groups of new boronic acids containing aminophosphonate functions were synthesized and characterized by NMR spectroscopy and ESI-MS. Both groups of compounds were obtained by simple reactions of prepared in situ tris(trimethylsilyl) phosphite with a corresponding imine. The synthesized compounds may serve as a potential new class of building blocks. BNCT agents and supramolecular host molecules. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.002

文献信息

• Preparation of a novel group of hybrid compounds N-benzyl aminoboronbenzylphosphonic and N,N′-ethylenedi(aminoboronbenzylphosphonic) acids
  作者：Piotr Młynarz、Agata Rydzewska、Ziemowit Pokładek

  DOI：10.1016/j.jorganchem.2010.09.002

  日期：2011.1

  Two groups of new boronic acids containing aminophosphonate functions were synthesized and characterized by NMR spectroscopy and ESI-MS. Both groups of compounds were obtained by simple reactions of prepared in situ tris(trimethylsilyl) phosphite with a corresponding imine. The synthesized compounds may serve as a potential new class of building blocks. BNCT agents and supramolecular host molecules. (c) 2010 Elsevier B.V. All rights reserved.