4-pyridyl-CH2N(CH2PO3H2)2 | 872605-32-8

• 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: 4-pyridyl-CH2N(CH2PO3H2)2
• 英文别名: [Phosphonomethyl(pyridin-4-ylmethyl)amino]methylphosphonic acid；[phosphonomethyl(pyridin-4-ylmethyl)amino]methylphosphonic acid
• CAS: 872605-32-8
• 化学式: C₈H₁₄N₂O₆P₂
• 分子量: 296.156
• InChiKey: VTVRPYIVGAAQQF-UHFFFAOYSA-N

物化性质

• 沸点：
  609.2±65.0 °C(Predicted)
• 密度：
  1.667±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  cobalt(II) diacetate tetrahydrate 、 4-pyridyl-CH2N(CH2PO3H2)2 在 NaOH 作用下， 以 水 为溶剂， 以6%的产率得到[Co(4-pyridyl-CH2N(CH2PO3H)2)(H2O)]*H2O
  参考文献：
  名称：

  New metal phosphonates containing coordination piperazine or pyridyl groups

  摘要：

  Reactions of transition metal(II) salts with three aminophosphonic acids, 1-[(H2O3PCH2)(2)NCH2CH2-]-piperazine-4-CH2PO3H2 (H6L1), 3-pyridyl-CH2N(CH2PO3H2)(2) (H4L2) and 4-pyridyl-CH2N(CH2PO3H2)(2) (H4L3) afforded three new metal phosphonates, namely, Cu(H4L1) center dot 2H(2)O (1), Co(H3L2)(2) center dot H2O (2) and [Co(H2L3)(H2O)] center dot H2O (3). The structure of compound 1 features a 1D chain in which the CuN2O3 and CPO3 polyhedra are interconnected by bridging phosphonate ligands to form 1D chains. Compound 2 has a layered structure. The cobalt(II) ions in the octahedral coordination geometries and {CPO3} tetrahedra are interconnected into an inorganic chain via -N(CH2PO3H)(2) moieties, and adjacent chains are further bridged by the coordination pyridyl groups of H3L2 into a 2D layer. The structure of compound 3 features a 2D double layered structure, in which the Co(II) ions are interconnected by bridging phosphonate groups into a 1D chain along b-axis. Neighboring chains are interconnected by coordination pyridyl groups into a double layer perpendicular to the c-axis. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2005.09.001

文献信息

• Differently luminescent sensing abilities for Cu2+ ion of two metal phosphonates with or without the free Lewis basic pyridyl sites
  作者：Hong-Bo Tai、Si-Nan Lu、Xu Zhang、Qi-Wei Liu、Ya-Nan Zhou、Cheng-Qi Jiao、Yan-Yu Zhu、Cui-Ying Huang、Zhen-Gang Sun

  DOI：10.1016/j.molstruc.2021.130175

  日期：2021.6

  luminescent sensing abilities for Cu2+ ion. Compound 1 shows a highly selective and sensitive luminescent sensor for sensing Cu2+ with a low detection limit of 2.7 nM in aqueous solution. However, 2 can not be used as a luminescent sensor for metal ions. The result indicates that the presence of the free Lewis basic pyridyl sites in the framework plays an important role in the recognition of metal cations. Meanwhile

  两种具有或不具有游离路易斯碱性吡啶基位点的金属膦酸酯，即[Zn 1.5（HL）]·2H 2 O（1）和[Cd 0.5（H 3 L 1）]·H 2 O（2）由4-吡啶基-CH 2 N（CH 2 PO 3 H 2）2（H 4 L）和3-吡啶基-CH 2 N（CH 2 PO 3 H 2）2（H 4 L 1）获得。1个吡啶N原子是不协调用Zn（II）离子，而的吡啶基N原子2与镉（II）离子，协调这导致不同的发光感测能力对Cu 2+离子。化合物1显示了一种高选择性和灵敏的发光传感器，用于检测Cu 2+，在水溶液中的检测限较低，仅为2.7 nM。但是，不能将2用作金属离子的发光传感器。结果表明，骨架中游离的路易斯碱性吡啶基位点的存在在识别金属阳离子中起着重要的作用。同时，淬火机构1还研究了这种现象，这可以归因于HL 3–配体的游离Lewis碱性位点与Cu 2+离子之间的弱相互作用。
• Two Stable Cd-MOFs as Dual-Functional Materials with Luminescent Sensing of Antibiotics and Proton Conduction
  作者：Ya-Nan Zhou、Lu Wang、Jia-Hui Yu、Tian-Yang Ding、Xu Zhang、Cheng-Qi Jiao、Xin Li、Zhen-Gang Sun、Yan-Yu Zhu

  DOI：10.1021/acs.inorgchem.2c03546

  日期：2022.12.12

  as good proton-conducting materials. The proton conductivities can reach up to 1.41 × 10–4 S cm–1 for 1 and 1.02 × 10–3 S cm–1 for 2 at 368 K and 95% relative humidity (RH). Among them, 2 shows better luminescent sensing and proton conduction performance than 1, which indicates that different crystal structures have a great impact on the properties of MOFs. Through the discussion of the relationship

  具有发光传感和质子传导功能的双功能金属有机框架（MOF）的构建和研究在清洁能源和环境监测领域提供了广泛的应用。通过选择膦酸配体 4-pyridyl-CH 2 N(CH 2 PO 3 H 2 ) 2 (H 4 L) 和辅助配体 2,2'-联咪唑 (H 2 biim)，两个镉基 MOFs [Cd 1.5 ( HL)(H 2 biim) 0.5 ] ( 1 ) 和 (H 4 biim) 0.5 ·[Cd 2 (L)(H 2 biim)Cl] ( 2)通过控制反应温度水热合成了不同结构和性质的化合物。基于优异的热稳定性和化学稳定性，以及在水溶液中良好的发光稳定性，1和2可作为氯霉素（CAP）在水中具有不同猝灭常数（K SV）值和检测限（LODs）的发光传感器，模拟环境系统和真正的鱼水系统。同时，详细分析了不同的传感效果和可能的传感机制。此外，1和2也可以作为良好的质子传导材料。质子电导率可达 1.41