[Cu(2-pyridylmethylphosphonate)(H2O)] | 1260513-02-7

• 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: [Cu(2-pyridylmethylphosphonate)(H2O)]
• 英文别名: [Cu(2-pmp)(H2O)]
• CAS: 1260513-02-7
• 化学式: C₆H₆NO₃P*Cu*H₂O
• 分子量: 252.654
• InChiKey: SNQXKDJPNDEMCU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.33
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  107.58
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  copper(ll) sulfate pentahydrate 、 (2-吡啶基甲基)膦酸 、 水 在 NaOH 作用下， 以 水 为溶剂， 以19.8%的产率得到[Cu(2-pyridylmethylphosphonate)(H2O)]
  参考文献：
  名称：

  Layered manganese and copper phosphonates with metamagnetism observed in Mn(2-pmp)(H2O)2·H2O (2-pmpH2= 2-pyridylmethylphosphonic acid)

  摘要：

  Hydrothermal reactions of 2-pyridylmethylphosphonic acid (2-pmpH(2)) and corresponding metal salts lead to two new layered compounds Mn(2-pmp)(H2O)(2)center dot H2O (1) and Cu(2-pmp)(H2O) (2). The {MnO5N} octahedra in 1 or {CuNO4} square pyramids in 2 are each corner-shared with the {PO3C} tetrahedra, forming inorganic layers containing alternative 8- and 16-membered rings. The organic groups graft on the two sides of the inorganic layers. The layers are packed in different fashions, resulting in interlayer distances of 10.0876 angstrom in 1 and 8.548 angstrom in 2. Magnetic measurements reveal that dominant antiferromagnetic interactions are found between metal ions in both cases. At low temperature, compound 1 shows metamagnetism with a critical field of 35 kOe at 1.8K, while compound 2 displays an antiferromagnetism. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.09.011