3-formylphenyl boronic acid diethanolamine ester | 1227678-05-8

• 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: 3-formylphenyl boronic acid diethanolamine ester
• 英文别名: 3-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde
• CAS: 1227678-05-8
• 化学式: C₁₁H₁₄BNO₃
• 分子量: 219.048
• InChiKey: IFOZCELOJHRZTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-formylphenyl boronic acid diethanolamine ester 在 bromotrimethylsilane 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N,N'-ethylenedi(amino-3-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
• 作为产物：
  描述：

  3-甲酰基苯硼酸 、 二乙醇胺 以 四氢呋喃 、 异丙醇 为溶剂， 以99%的产率得到3-formylphenyl boronic acid diethanolamine ester
  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