| 146162-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• CAS: 146162-46-1
• 化学式: C₁₇H₂₄CuIN₄*I
• 分子量: 601.759
• InChiKey: PZEKCBMGCQDMCO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  异喹啉-3-甲醛 、 copper(ll) sulfate pentahydrate 、 N,N-双(3-氨丙基)甲胺 、 barium(II) iodide 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Copper(II) complexes with the tetraaza ligands resulting from single condensation between linear triamines and aromatic aldehydes. Crystal structure of [Cu(pyaDPT)I]I·MeOH, [Cu(pyaMeDPT)I]I·MeOH and [Cu(iqaMeDPT)I]I

  摘要：

  The condensation of one primary amino group of the appropriate triamine: bis(2-aminoethyl)-amine (DET), bis(3-aminopropyl)-amine (DPT) or bis(3-aminopropyl)-methylamine (MeDPT), with the appropriate aldehyde: pyridine-2-carboxaldehyde (pya), 3-formylisoquinoline (iqa) or 2-aminobenzaldehyde (aba), has yielded six new quadridentate N4-type ligands: pyaDET, pyaDPT, pyaMeDPT, iqaMeDPT, abaDET and abaDPT. The ligands have been isolated as corresponding copper (II) complexes of the general formula [CuLI]I or [CuLI]I.MeOH. The crystal structures of [Cu(pyaDPT)I]I.MeOH, [Cu(pyaMeDPT)I]I.MeOH and [Cu(iqaMeDPT)I]I complexes have been determined by single crystal X-ray diffraction techniques. The geometry around the copper center is intermediate between idealized square-pyramidal and trigonal-bipyramidal symmetry, with the trigonality increasing on going from [Cu(pyaDPT)I]I.MeOH to [Cu(iqaMeDPT)I]I. Crystallographic data: [Cu(pyaDPT)I]I.MeOH: triclinic, P1, a = 8.398(3), b = 9.503(3), c = 12.191(5) angstrom, alpha = 86.96(3), beta = 85.68(3), gamma = 78.73(3)-degrees, R = 0.076; [Cu(pyaMeDPT)I]I.MeOH: monoclinic, P2(1)/c, a = 9.670(4), b = 12.351(6), c = 17.074(5) angstrom, beta = 95.60(3)-degrees, R = 0.058; [Cu(iqaMeDPT)I]I: monoclinic, P2(1)/n, a = 11.210(3), b = 10.920(4), c = 17.323(5) angstrom, beta = 96.11(2)-degrees, R = 0.045.

  DOI：

  10.1016/s0020-1693(00)85329-3