N,N,N',N'-Tetrakis--octamethylendiamin | 60099-75-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: N,N,N',N'-Tetrakis--octamethylendiamin
• 英文别名: 1,8-diaminooctane-N,N,N',N'-tetrakis(methanephosphonic acid)；octamethylenediamine-N,N,N',N''-tetrakis-(methylenephosphonic acid)；[8-[Bis(phosphonomethyl)amino]octyl-(phosphonomethyl)amino]methylphosphonic acid；[8-[bis(phosphonomethyl)amino]octyl-(phosphonomethyl)amino]methylphosphonic acid
• CAS: 60099-75-4
• 化学式: C₁₂H₃₂N₂O₁₂P₄
• 分子量: 520.287
• InChiKey: TWQIUGSKUMMOAO-UHFFFAOYSA-N

物化性质

• 熔点：
  248 °C
• 沸点：
  866.7±75.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  261
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  N,N,N',N'-Tetrakis--octamethylendiamin 在 magnesium(II) nitrate hexahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 168.0h， 生成
  参考文献：
  名称：

  High Proton Conductivity in a Flexible, Cross-Linked, Ultramicroporous Magnesium Tetraphosphonate Hybrid Framework

  摘要：

  Multifunctional materials, especially those combining two or more properties of interest, are attracting immense attention due to their potential applications. MOFs, metal organic frameworks, can be regarded as multifunctional materials if they show another useful property in addition to the adsorption behavior. Here, we report a new multifunctional light hybrid, MgH6ODTMP center dot 2H(2)O(DMF)(0.5) (1), which has been synthesized using the tetraphosphonic acid H8ODTMP, octamethylenediamine-N,N,N',N'-tetralds(methylenephosphonic acid), by high-throughput methodology. Its crystal structure, solved by Patterson-function direct methods from synchrotron powder Xray diffraction, was characterized by a 3D pillared open framework containing cross-linked ID channels filled with water and DMF. Upon H2O and DMF removal and subsequent rehydration, MgH6ODTMP center dot 2H(2)O (2) and MgH6ODTMP center dot 6H(2)O (3) can be formed. These processes take place through crystalline-quasi-amorphous-crystalline transformations, during which the integrity of the framework is maintained. A water adsorption study, at constant temperature, showed that this magnesium tetraphosphonate hybrid reversibly equilibrates its lattice water content as a function of the water partial pressure. Combination of the structural study and gas adsorption characterization (N-2, CO2, and CH4) indicates an ultramicroporous framework. High-pressure CO2, adsorption data are also reported. Finally, impedance data indicates that 3 has high proton conductivity sigma = 1.6 x 10(-3) S cm(-1) at T = 292 K at similar to 100% relative humidity with an activation energy of 0.31 eV.

  DOI：

  10.1021/ic3007316
• 作为产物：
  描述：

  聚合甲醛 、 1,8-辛二胺 在 盐酸 、 亚磷酸 作用下， 生成 N,N,N',N'-Tetrakis--octamethylendiamin
  参考文献：
  名称：

  The Direct Synthesis of α-Aminomethylphosphonic Acids. Mannich-Type Reactions with Orthophosphorous Acid

  摘要：

  DOI：

  10.1021/jo01343a067

文献信息

• Green Synthesis of Poly(aminomethylenephosphonic) Acids
  作者：Didier Villemin、Bernard Moreau、Abdelghani Elbilali、Mohamed-Amine Didi、M’hamed Kaid、Paul-Alain Jaffrès

  DOI：10.1080/10426501003724897

  日期：2010.11.23

  The reaction of polyamines with phosphorous acid and formaldehyde in water under focused microwave irradiation provides a facile and rapid synthesis of poly(aminomethylenephosphonic) acids.