bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine | 1432473-78-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine
• 英文别名: N-methyl-3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]-N-[3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]propyl]propan-1-amine
• CAS: 1432473-78-3
• 化学式: C₁₇H₂₇N₇
• 分子量: 329.448
• InChiKey: JZULRMPQGCXUQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  85.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine 、 potassium thioacyanate 、 四苯硼钠 以 甲醇 为溶剂， 反应 1.0h， 生成 [iron(II)(bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine)(NCS)](tetraphenylborate)
  参考文献：
  名称：

  Iron(II) complexes with a linear pentadentate ligand H2L1=bis(N,N′-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X=N3−, NCS−, NCSe−)

  摘要：

  Three iron(II) complexes with a linear symmetrical pentadentate ligand H2L1 and a monodentate ligand X (X = N-3(-), NCS-, NCSe-), [(FeN3)-N-II(H2L1)]BPh4 (1), [(FeNCS)-N-II(H2L1)]BPh4 (2), and [(FeNCSe)-N-II(H2L1)]BPh4 (3), were synthesized and characterized, where H2L1 denotes bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine. Compounds 1, 2 and 3 consist of a mononuclear complex-cation of [(FeX)-X-II(H2L1)](+) (X = N-3(-), NCS-, NCSe-) and a tetraphylborate (BPh4-) anion. Each complex-cation has an octahedral coordination geometry with N-6 donor atoms of a linear pentadentate ligand of H2L1 and a nitrogen atom of N-3(-), NCS-, or NCSe-, in which the linear pentadentate ligand is folded to coordinate to Fe-II ion in a cis-form. One of two imidazole groups of a complex-cation is hydrogen bonded to N-3(-), NCS-, or NCSe- of the adjacent complex-cation to form acyclic dimer structure for 1 and a zigzag-chain structure for 2 and 3. The temperature dependence of the magnetic data revealed that 1, 2 and 3 are high-spin (HS) complexes. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.032
• 作为产物：
  描述：

  N,N-双(3-氨丙基)甲胺 、 2-甲基咪唑-4-甲醛 以 甲醇 为溶剂， 反应 0.25h， 生成 bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine
  参考文献：
  名称：

  Iron(II) complexes with a linear pentadentate ligand H2L1=bis(N,N′-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X=N3−, NCS−, NCSe−)

  摘要：

  Three iron(II) complexes with a linear symmetrical pentadentate ligand H2L1 and a monodentate ligand X (X = N-3(-), NCS-, NCSe-), [(FeN3)-N-II(H2L1)]BPh4 (1), [(FeNCS)-N-II(H2L1)]BPh4 (2), and [(FeNCSe)-N-II(H2L1)]BPh4 (3), were synthesized and characterized, where H2L1 denotes bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine. Compounds 1, 2 and 3 consist of a mononuclear complex-cation of [(FeX)-X-II(H2L1)](+) (X = N-3(-), NCS-, NCSe-) and a tetraphylborate (BPh4-) anion. Each complex-cation has an octahedral coordination geometry with N-6 donor atoms of a linear pentadentate ligand of H2L1 and a nitrogen atom of N-3(-), NCS-, or NCSe-, in which the linear pentadentate ligand is folded to coordinate to Fe-II ion in a cis-form. One of two imidazole groups of a complex-cation is hydrogen bonded to N-3(-), NCS-, or NCSe- of the adjacent complex-cation to form acyclic dimer structure for 1 and a zigzag-chain structure for 2 and 3. The temperature dependence of the magnetic data revealed that 1, 2 and 3 are high-spin (HS) complexes. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.032