| 203565-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 203565-57-5
• 化学式: C₃₀H₂₆Cl₂N₄O₄Zn
• 分子量: 642.857
• InChiKey: CDJROAGJMFPOTK-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

• 作为反应物：
  描述：

  、 氢溴酸 以 乙醇 为溶剂， 以17%的产率得到
  参考文献：
  名称：

  Dicompartmental Ligands with Hexa- and Tetradentate Coordination Sites:  One-Step Synthesis of Ligands and Metal Complexes and Their X-ray Structure Analysis

  摘要：

  Examples of interesting ligands previously requiring lengthy synthetic procedures have been prepared by onestep routes, opening the way to more extensive studies of their complexes and to possible applications. New dicompartmental ligands bearing picolyl pendant arms on the amine nitrogen donors have been synthesized, via the Mannich condensation, from 5-substituted salicylaldehydes, formaldehyde, and N,N'-bis(2-pyridylmethyl)-1,2-diaminoethane. The protonated acyclic ligand salt, two mononuclear complexes of a macrocyclic ligand with a second compartment featuring a Schiff base, and one of the decomposition products resulting from a retro-Mannich reaction have been structurally characterized. The ligand salt (L1b) has an extended conformation with the ethylenediamine fragment displaying the trans configuration, very different from that of the corresponding closed-site macrocyclic complexes NiH2(L2b)(2+) and ZnH2(L2b)(2+). The mononuclear macrocyclic complex NiH2(L2b)(2+) has a much smaller ligand twist than the corresponcing Zn(II) complex. The degree of ligand distortion is correlated with the M-N bond length between the metal ions and the pyridine nitrogens; longer M-N bonds cause the pyridine rings to tilt and twist the phenolic rings out of the main ligand plane. The ability of the macrocyclic ligand L2b to accommodate a second metal ion has been demonstrated by successful synthesis of dinuclear complexes. The free carbonyl groups of the open-site ligand were transformed into oxime groups, and the corresponding dinuclear bis(nickel) complex has been prepared. Acetal formation by the free carbonyl groups of ligand and retro-Mannich rearrangements are found to be possible pathways for the decomposition of this family of dicompartmental ligands.

  DOI：

  10.1021/ic9712737
• 作为产物：
  描述：

  聚合甲醛 、 zinc(II) acetate dihydrate 、 N,N'-二-2-吡啶甲基乙二胺 、 5-氯代水杨醛 在 HClO₄ or HBF₄ 、 Et₃N 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Dicompartmental Ligands with Hexa- and Tetradentate Coordination Sites:  One-Step Synthesis of Ligands and Metal Complexes and Their X-ray Structure Analysis

  摘要：

  Examples of interesting ligands previously requiring lengthy synthetic procedures have been prepared by onestep routes, opening the way to more extensive studies of their complexes and to possible applications. New dicompartmental ligands bearing picolyl pendant arms on the amine nitrogen donors have been synthesized, via the Mannich condensation, from 5-substituted salicylaldehydes, formaldehyde, and N,N'-bis(2-pyridylmethyl)-1,2-diaminoethane. The protonated acyclic ligand salt, two mononuclear complexes of a macrocyclic ligand with a second compartment featuring a Schiff base, and one of the decomposition products resulting from a retro-Mannich reaction have been structurally characterized. The ligand salt (L1b) has an extended conformation with the ethylenediamine fragment displaying the trans configuration, very different from that of the corresponding closed-site macrocyclic complexes NiH2(L2b)(2+) and ZnH2(L2b)(2+). The mononuclear macrocyclic complex NiH2(L2b)(2+) has a much smaller ligand twist than the corresponcing Zn(II) complex. The degree of ligand distortion is correlated with the M-N bond length between the metal ions and the pyridine nitrogens; longer M-N bonds cause the pyridine rings to tilt and twist the phenolic rings out of the main ligand plane. The ability of the macrocyclic ligand L2b to accommodate a second metal ion has been demonstrated by successful synthesis of dinuclear complexes. The free carbonyl groups of the open-site ligand were transformed into oxime groups, and the corresponding dinuclear bis(nickel) complex has been prepared. Acetal formation by the free carbonyl groups of ligand and retro-Mannich rearrangements are found to be possible pathways for the decomposition of this family of dicompartmental ligands.

  DOI：

  10.1021/ic9712737