1-hydroxy-2-(2-pyridyl)ethylidene-1,1-diphosphonic acid monohydrate | 1220806-40-5

• 英文名称: 1-hydroxy-2-(2-pyridyl)ethylidene-1,1-diphosphonic acid monohydrate
• 英文别名: hpedpH4*H2O；(1-Hydroxy-1-phosphono-2-pyridin-2-ylethyl)phosphonic acid;hydrate；(1-hydroxy-1-phosphono-2-pyridin-2-ylethyl)phosphonic acid;hydrate
• CAS: 1220806-40-5
• 化学式: C₇H₁₁NO₇P₂*H₂O
• 分子量: 301.13
• InChiKey: LOXDMIJMAYJQJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  179.68
• 氢给体数：
  5.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 1-hydroxy-2-(2-pyridyl)ethylidene-1,1-diphosphonic acid monohydrate 、 水 在 NaN₃ 作用下， 以 水 为溶剂， 以42%的产率得到Mn(1-hydroxy-2-(2-pyridyl)ethylidene-1,1-diphosphonic acid(-2H))*3H2O
  参考文献：
  名称：

  Manganese diphosphonate with a ladder-like chain structure exhibiting field-induced magnetic transition

  摘要：

  A manganese diphosphonate Mn(hpedpH(2)).3H(2)O [hpedpH(4)=1-hydroxy-2-(2-pyridyl)ethylidene-1,1diphosphonic acid] has been synthesized under hydrothermal conditions. It shows a ladder-like chain structure in which the edge-shared (MnO6) octahedral are linked by (CPO3) tetrahedral through corner-sharing. The magnetization measurements reveal that dominant antiferromagnetic interactions are mediated between the magnetic centers and the compound experiences a field-induced magnetic transition at low temperature. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.06.039