3-pyridylphosphonic acid-hydrogen bromide | 377726-60-8

• 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: 3-pyridylphosphonic acid-hydrogen bromide
• 英文别名: pyridin-3-ylphosphonic acid;hydrobromide
• CAS: 377726-60-8
• 化学式: BrH*C₅H₆NO₃P
• 分子量: 239.993
• InChiKey: CWJHTTFRJWAQHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-pyridylphosphonic acid-hydrogen bromide 、 copper(II) acetate monohydrate 以 水 为溶剂， 反应 24.0h， 以95%的产率得到[Cu(η⁴,μ⁴:3-C₅H₄NPO₃)]
  参考文献：
  名称：

  具有 3-吡啶基膦酸酯配体的过渡金属化合物的合成、晶体结构和磁性

  摘要：

  在水热条件下用 Cu(OAc)2·H2O 处理 3-吡啶基膦酸得到复合物 [Cu(η4,μ4:3-C5H4NPO3)] (1)，而与 Co(OAc)2·4H2O 的类似反应得到 [ Co(3-C5H4NPO3)(H2O)5] (2) 收率良好。化合物 1 和 2 已通过 IR、元素分析和 X 射线晶体学表征。化合物 1 显示二维层状结构，其中每个 Cu 中心通过桥连配体的两个吡啶基膦氧原子桥接到另一个 Cu 中心，形成 {CuO3N}{CPO3} 单元的一维阶梯。吡啶基N原子进一步与相邻链中的Cu中心配位，从而形成二维层。化合物2含有[Co(3-C5H4NPO3)(H2O)5]分子，它们通过氢键相互连接，形成三维超分子骨架。

  DOI：

  10.1007/s11243-010-9395-5

文献信息

• New Open Frameworks Based on Metal Pyridylphosphonates
  作者：Ponnaiyan Ayyappan、Owen R. Evans、Bruce M. Foxman、Kraig A. Wheeler、Timothy H. Warren、Wenbin Lin

  DOI：10.1021/ic010609g

  日期：2001.11.1

  A family of new 1D, 2D, and 3D coordination networks based on metal-pyridylphosphonates have been synthesized under hydro(solvo)thermal conditions. Zn(3-pyridylphosphonate)(bromide), 1, adopts a I D ladder structure, while 2, adopts a 2D grid structure. [Cu-2(4-pyridylphosphonate)(2)](.)2H(2)O, 3, [Cd(3-pyridylphosphonate)(H2O)(3), pyridylphosphonate)(2)](DMSO)-D-., 4, Cd(4-pyridylphosphonate)(2), 5, and Cd(ethyl 4-pyridylphosphonate)(2), 6, all adopt 3D framework structures. While 3 possesses open channels that are occupied by water molecules, 4 exhibits cavities that accommodate DMSO guest molecules. The present work demonstrates that interesting open frameworks can be readily synthesized on the basis of metal pyridylphosphonates. Crystal data for 1: monoclinic space group, C2/c; a = 15-267(4), b = 11.903(2), c = 10.380(2) Angstrom; beta = 98.68(2)degrees; Z = 8. Crystal data for 2: monoclinic space, group P2(1)/c; a = 9.634(12), b = 7.611(9), c = 11.901(1) Angstrom; beta = 97.830(2)degrees; Z = 4. Crystal data for 3: triclinic spacegroup P (1) over bar; a = 7.464(8), b = 9.203(1), c = 11.602(2) Angstrom; alpha = 100.289(1)degrees; beta = 104.532(1)degrees, gamma = 94,569(l)degrees; Z = 12 Crystal data for 4: tetragonal space group I4(1)/a; a = 15.114(2), b = 15.114(2), c = 13.128(3) Angstrom; Z = 8. Crystal data for 5: monoclinic space group P2(1)/c; a = 8.344(2), b = 10.589(2), c = 14.384(3) Angstrom; beta = 91.77(3)degrees; Z = 4. Crystal data for 6: monoclinic space group P2(1)/n; a = 5.606(1), b = 11,198(1), c = 14.176(2). Angstrom; beta = 94.5 18(1)degrees; Z = 2.