(2-吡啶基-N-氧化物)膦酸 | 1001847-61-5

• 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
• 中文名称: (2-吡啶基-N-氧化物)膦酸
• 英文名称: (2-pyridyl-N-oxide)phosphonic acid
• 英文别名: (1-Oxidopyridin-1-ium-2-yl)phosphonic acid；(1-oxidopyridin-1-ium-2-yl)phosphonic acid
• CAS: 1001847-61-5
• 化学式: C₅H₆NO₄P
• 分子量: 175.081
• InChiKey: HYLYTLDCJXJJGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 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：
  83
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-吡啶基-N-氧化物)膦酸 以 水 为溶剂， 生成 [Cu(μ-Br)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O
  参考文献：
  名称：

  One-dimensional copper phosphonates containing μ-halide, μ-pyridyl N-oxide and phosphonate bridging ligands

  摘要：

  This paper reports the syntheses and characterization of four copper phosphonates with chain structures based on (2-pyridyl-N-oxide) phosphonate, namely, [Cu2X2(C5H4NOPO3)(2)][Cu(H2O)(6)] center dot 2H(2)O [X = Cl ( 1), Br (2)] and CuX(C5H4NOPO3H) center dot H2O [X= Cl (3), Br (4)]. Compounds 1 and 2 are isostructural and show a chain structure where Cu(1) and Cu(2) are triply bridged by halide, oxygen donor of the pyridyl N-oxide and O-P-O group. The [Cu(H2O)(6)](2+) serves as a charge-balancing cation and locate between the chains together with the water molecules. Compounds 3 and 4 are also isostructural. In these cases, one of the three phosphonate oxygen atoms is protonated, thus leading to a neutral chain structure which is very similar to the anionic chains in compounds 1 and 2. Magnetic studies of compounds 1-4 reveal that antiferromagnetic interactions are mediated between the copper ions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.05.059

文献信息

• Tetranuclear Clusters Containing a Cr^III-Doped Mn^III₄O₂ Core: Syntheses, Structures, and Magnetic Properties
  作者：Yun-Sheng Ma、Yi-Zhi Li、You Song、Li-Min Zheng

  DOI：10.1021/ic701626k

  日期：2008.6.2

  CrIII-doped tetranuclear manganese clusters formulated [Mn3CrO2(O2CCH3)4(O3PC5H4N)2(bpy)2] (1), [Mn3CrO2(O2CCH3)4(O3PC5H4N)2(phen)2] (2), [Mn3CrO2(O2CPh)4(O3PC5H4NO)2(phen)2] (3), [Mn3CrO2(O2CPh)4(O3PC6H11)2(bpy)2] (4), [Mn 3CrO2(O2CPh)4(O3PC6H11)2(phen) 2] (5), and [Mn3CrO2(O2CCH3)4(O3PC6H11)2(bpy)2] (6). Single-crystal X-ray analyses reveal that all the compounds contain similar [M4O2]8+ cores with the

  （NBu4）Cr2O7在不同的膦酸和螯合配体的存在下氧化MnII羧酸盐会导致六个CrIII掺杂的四核锰簇形成[Mn3CrO2（O2CCH3）4（O3PC5H4N）2（bpy）2]（1），[ Mn3CrO2（O2CCH3）4（O3PC5H4N）2（phen）2]（2），[Mn3CrO2（O2CPh）4（O3PC5H4NO）2（phen）2]（3），[Mn3CrO2（O2CPh）4（O3PC6H11）2（bpy） 2]（4），[Mn 3CrO2（O2CPh）4（O3PC6H11）2（phen）2]（5）和[Mn3CrO2（O2CCH3）4（O3PC6H11）2（bpy）2]（6）。单晶X射线分析表明，所有化合物均包含相似的[M4O2] 8+核，四个金属位点以平面拓扑排列。核心内的金属离子被羧酸根和膦酸根配体桥连。随温度变化的磁测量结果表明，在所有情况下，主要的反铁磁相互作用都在金属中心之间传播。
• One-dimensional copper phosphonates containing μ-halide, μ-pyridyl N-oxide and phosphonate bridging ligands
  作者：Yun-Sheng Ma、Tian-Wei Wang、Yi-Zhi Li、Li-Min Zheng

  DOI：10.1016/j.ica.2007.05.059

  日期：2007.12

  This paper reports the syntheses and characterization of four copper phosphonates with chain structures based on (2-pyridyl-N-oxide) phosphonate, namely, [Cu2X2(C5H4NOPO3)(2)][Cu(H2O)(6)] center dot 2H(2)O [X = Cl ( 1), Br (2)] and CuX(C5H4NOPO3H) center dot H2O [X= Cl (3), Br (4)]. Compounds 1 and 2 are isostructural and show a chain structure where Cu(1) and Cu(2) are triply bridged by halide, oxygen donor of the pyridyl N-oxide and O-P-O group. The [Cu(H2O)(6)](2+) serves as a charge-balancing cation and locate between the chains together with the water molecules. Compounds 3 and 4 are also isostructural. In these cases, one of the three phosphonate oxygen atoms is protonated, thus leading to a neutral chain structure which is very similar to the anionic chains in compounds 1 and 2. Magnetic studies of compounds 1-4 reveal that antiferromagnetic interactions are mediated between the copper ions. (C) 2007 Elsevier B.V. All rights reserved.