1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane | 1615656-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane
• CAS: 1615656-68-2
• 化学式: C₂₄H₃₀N₆
• 分子量: 402.542
• InChiKey: MJXIHSOQYFZAIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  74.65
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane 以 水 为溶剂， 以71%的产率得到[Cu(1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane)](ClO₄)₂*H₂O
  参考文献：
  名称：

  Synthesis of an unsymmetrical N-functionalized triazacyclononane ligand and its Cu(II) complex

  摘要：

  The unsymmetrical 1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane ligand (L3) has been prepared and characterized by NMR spectroscopy. The L3 ligand is based on the triazamacrocycle ring bearing one flexible 2-pyridylmethyl linked to the macrocycle group via the methyl group, and two rigid 2-aminophenyl pendant donor groups linked to the macrocycle via the aromatic carbon atoms. Reaction of this ligand with Cu(ClO4)(2)center dot 6H(2)O afforded the corresponding complex [Cu(L3)](ClO4)(2)center dot H2O (4) which was structurally characterized both in solid state and in solution. The crystal structure of 4 consists of a discrete monomeric [Cu(L3)](2+) in which the Cu(II) ion is six coordinated with three nitrogen atoms of the macrocycle ring, two of the aminophenyle and one of the pyridine appended functions. The triazacyclonane macrocycle ring is facially coordinated and the N-donor atoms of the three pendant groups (two aniline and one pyridine groups), are disposed in the same side of the basal macrocyclic ring, leading to a distorted and elongated CuN4N2 octahedron. UV-Vis spectroscopy of complex 4 in acetonitrile displays a d-d transition band at lambda = 673 nm. The voltammetric studies show that the [Cu(L3)](2+) cation can be reduced quasi-reversibly and oxidized irreversibly, both process being monoelectronic. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.12.036
• 作为产物：
  描述：

  在 盐酸 、 potassium carbonate 、 甲烷 、 一水合肼 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 87.0h， 生成 1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane
  参考文献：
  名称：

  Synthesis of an unsymmetrical N-functionalized triazacyclononane ligand and its Cu(II) complex

  摘要：

  The unsymmetrical 1,4-bis(2-aminophenyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazacyclononane ligand (L3) has been prepared and characterized by NMR spectroscopy. The L3 ligand is based on the triazamacrocycle ring bearing one flexible 2-pyridylmethyl linked to the macrocycle group via the methyl group, and two rigid 2-aminophenyl pendant donor groups linked to the macrocycle via the aromatic carbon atoms. Reaction of this ligand with Cu(ClO4)(2)center dot 6H(2)O afforded the corresponding complex [Cu(L3)](ClO4)(2)center dot H2O (4) which was structurally characterized both in solid state and in solution. The crystal structure of 4 consists of a discrete monomeric [Cu(L3)](2+) in which the Cu(II) ion is six coordinated with three nitrogen atoms of the macrocycle ring, two of the aminophenyle and one of the pyridine appended functions. The triazacyclonane macrocycle ring is facially coordinated and the N-donor atoms of the three pendant groups (two aniline and one pyridine groups), are disposed in the same side of the basal macrocyclic ring, leading to a distorted and elongated CuN4N2 octahedron. UV-Vis spectroscopy of complex 4 in acetonitrile displays a d-d transition band at lambda = 673 nm. The voltammetric studies show that the [Cu(L3)](2+) cation can be reduced quasi-reversibly and oxidized irreversibly, both process being monoelectronic. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.12.036