N,N'-bis(2-aminoethyl)-2-(2-(4-pyridyl)ethyl)malondiamide | 166403-91-4

• 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: N,N'-bis(2-aminoethyl)-2-(2-(4-pyridyl)ethyl)malondiamide
• 英文别名: N,N'-bis(2-aminoethyl)-2-(2-pyridin-4-ylethyl)propanediamide
• CAS: 166403-91-4
• 化学式: C₁₄H₂₃N₅O₂
• 分子量: 293.369
• InChiKey: BJLCDQJELDRRHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-aminoethyl)-2-(2-(4-pyridyl)ethyl)malondiamide 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 生成 cis-[Cl2Pt(II)(Cu(II)[N,N'-bis(2-aminoethyl)-2-(2-(4-pyridyl)ethyl)malondiamido(2-)])2]
  参考文献：
  名称：

  {CuII[N,N'-bis(2-aminoethyl)-2-(2-(4-pyridyl)ethyl)malondiamido(2-)]}: A Convenient Building Block for the Construction of Supramolecular Coordination Compounds Containing Exchangeable Peripheral CuII Cations

  摘要：

  The ethylpyridino functionalized N,N'-bis(2-aminoethyl)-2-(2-(4-pyridil)ethyl)malondiamide ligand 1b has been prepared, its protonation and complexation properties (toward Cu-II) have been studied in aqueous solution, and the pertinent constants have been determined. The ligand is able to coordinate one Cu-II ion with the diamino-diamido binding unit, after the release of the two amido protons, thus forming complex 2, which still presents a free, outward-pointing pyridine unit, capable of coordinating a second metal center. Two 2 units have been appended, through their pyridine nitrogen atom, to the kinetically inert cis-Cl2PtII < fragment. The obtained supramolecular species 3 is able to release the peripheral Cu-II ions when the pH of the solution becomes acidic and to re-form the original complex when basicity is restored (the pertinent complexation constants have been determined). This system thus represents the first example of a supramolecular coordination compound which contains exchangeable peripheral transition metal cations. The crystal and molecular structure of 2 has been determined, disclosing the formation of ''head to tail'' dimers in the solid state, with an unusual coordination geometry of the Cu-II ions. Single-crystal X-ray diffraction data were collected with the use of Mo K alpha radiation: trigonal, space group P (3) over bar with a = b = 20.558(6) Angstrom, c = 7.562(3) Angstrom, V = 2768(2) Angstrom(3), and Z = 6 (R = 0.054, R(w) = 0.058). Finally, electrochemical studies revealed that both in the separate component and in the assembled system the Cu-II centers are reversibly oxidizable to Cu-III. In the supramolecular coordination compound, the two Cu-II centers weakly influence each other by means of electrostatic interactions.

  DOI：

  10.1021/ic00122a007