N-(1-phenylphosphonomethyl)-1-amino-1-(4-pyridyl)-methylphosphonic acid | 1265828-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(1-phenylphosphonomethyl)-1-amino-1-(4-pyridyl)-methylphosphonic acid
• 英文别名: [[[Phenyl(phosphono)methyl]amino]-pyridin-4-ylmethyl]phosphonic acid
• CAS: 1265828-88-3
• 化学式: C₁₃H₁₆N₂O₆P₂
• 分子量: 358.227
• InChiKey: LTNFBULAJKTITB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  二乙基(α-氨基苄基)膦酸酯 盐酸盐 在 甲醇 、 碳酸氢钠 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 25.0h， 生成 N-(1-phenylphosphonomethyl)-1-amino-1-(4-pyridyl)-methylphosphonic acid
  参考文献：
  名称：

  Synthesis and solution studies of Cu(II) complexes with pyridine derivatives of iminobisphosphonic acids

  摘要：

  New 2-pyridyl, 3-pyridyl and 4-pyridyl derivatives of iminobisphosphonic acid were prepared by addition of tris(trimethylsilyl) phosphite to the corresponding derivatives of pyridineimine-methylphosphonates 3 and subsequent methanolysis of the silylated products 4. Solution studies on the coordination abilities of the ligands have shown that these compounds bind copper(II) ion through the tridentate {N,O,O} mode, where Cu(II) is stabilized by two five-membered chelate rings. The complexes obtained are very stable, with the pCu(II) value above 12, and therefore the ligands can be used as powerful chelating agents for copper ion. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.09.045