1-(1H-imidazol-2-yl)-N-[3-(1H-imidazol-2-ylmethylideneamino)propyl]methanimine | 208707-12-4

• 英文名称: 1-(1H-imidazol-2-yl)-N-[3-(1H-imidazol-2-ylmethylideneamino)propyl]methanimine
• CAS: 208707-12-4
• 化学式: C₁₁H₁₄N₆
• 分子量: 230.272
• InChiKey: KEUJKGYKDMFVHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1-(1H-imidazol-2-yl)-N-[3-(1H-imidazol-2-ylmethylideneamino)propyl]methanimine 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  A New Mononuclear Copper(II) Complex Containing Two Imidazolyl Moieties as Precursor of Self-Assembled and Ni^IICu^IINi^II Heterobimetallic Complexes

  摘要：

  A novel bis-imidazolyl tetradentate Schiff base ligand (H2L) has been prepared from the condensation of imidazole-2-carbaldehyde and 1,3-diaminopropane. The ligand reacts with copper(II) perchlorate in neutral medium to yield the mononuclear complex [Cu(H2L)(ClO4)]ClO4. H2O. A single-crystal X-ray diffraction study confirmed the expected structure, C11H16N6O9Cl2Cu, triclinic, P (1) over tilde, a = 8.875(2) Angstrom, b = 10.842(2) Angstrom, c = 10.888(2) Angstrom, a = 68.09(3)degrees, b = 84.47(3)degrees, g = 70.96(3)degrees, Z = 2, in which the copper(II) ion occupies the inner N-4 site of the nondeprotonated ligand. Under basic conditions [Cu(HL)(ClO4)]ClO4. H2O can coordinate another metal ion through the deprotonated imidazole nitrogen atoms and simultaneously to accept a donor atom at the axial coordination site. This donor atom can belong to another deprotonated [Cu(L)] unit, giving rise, by a self-assembly process, to the polymer [Cu(L)](n). The crystal structure of this complex, C11H11N6Cu, orthorombic, Pbca, a = 18.132(12) Angstrom, b = 14.927(6) Angstrom, c = 8.629(4) Angstrom, Z = 8, consists of zigzag chains formed by [Cu(L)] units, in which copper(II) ions are sequentially bridged by imidazolate groups, with a copper-copper distance of 5.993 Angstrom. The variable-temperature magnetic susceptibility measurements revealed the existence of an antiferromagnetic interaction between copper(II) ions through the imidazolate bridge. The analysis of the magnetic data on the basis of the spin Hamiltonian H = -2 Sigma J(ij)(S) over cap(i).(S) over cap(j) leads to J and g values of -1.2 cm(-1) and 2.05, respectively. In addition, the reaction of [Cu(H2L)](ClO4)(2). H2O with an excess of bis(hexafluorocetylacetonato)-nickel(II) (Ni(hfac)(2)) in basic medium leads to the heterotrinuclear complex (Cu(L)(H2O) [Ni(hfac)(2)(H2O)](2)). The magnetic properties of this complex agree well with those expected for a (NiCuNiII)-Cu-II-Ni-II trinuclear system with irregular spin state structure and zero-field splitting of the quartet ground state. The analysis of the magnetic data leads to J = -25.4 cm(-1), g(Ni) = 2.07, g(Cu), = 2.01, and D = +/- 4.0 cm(-1).

  DOI：

  10.1021/ic971055d
• 作为产物：
  描述：

  1,3-丙二胺 、 2-咪唑甲醛 以 乙醇 为溶剂， 反应 12.0h， 以95%的产率得到1-(1H-imidazol-2-yl)-N-[3-(1H-imidazol-2-ylmethylideneamino)propyl]methanimine
  参考文献：
  名称：

  多元金属有机骨架中官能团的印迹分配

  摘要：

  在生物细胞中广泛观察到的复杂化学过程需要对构建单元进行精确的分配调节，这激发了研究人员开发具有可控异质性的可定制架构，用于复制、识别和信息存储。然而，赋予多元材料内部序列和可控分配仍然是一个巨大的挑战。在此，我们引入了一种新策略，通过将互锁连接体预掺入框架材料中来操纵多元金属有机框架 (MTV-MOF) 中官能团的分配。作为概念证明，ZIF-8 中功能基团的印记分配是通过最初将基于亚胺的链接器模板与原始链接器交换来实现的。通过水解去除接头片段可以通过合成后的不稳定化来实现，从而形成具有受控异质性的结构。可以通过明智地控制互锁链长度来调整所得印迹 MOF 中官能团的分布，并通过计算方法对其进行进一步分析。这项工作为精确控制多组分材料内的孔隙环境和功能序列提供了合成工具。

  DOI：

  10.1021/jacs.9b06917