2-[(1-methylimidazol-2-yl)methylideneamino]-N,N-bis[2-[(1-methylimidazol-2-yl)methylideneamino]ethyl]ethanamine | 860267-52-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(1-methylimidazol-2-yl)methylideneamino]-N,N-bis[2-[(1-methylimidazol-2-yl)methylideneamino]ethyl]ethanamine
• CAS: 860267-52-3
• 化学式: C₂₁H₃₀N₁₀
• 分子量: 422.536
• InChiKey: HHEGPOSGHJKSBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[(1-methylimidazol-2-yl)methylideneamino]-N,N-bis[2-[(1-methylimidazol-2-yl)methylideneamino]ethyl]ethanamine 在 sodium tetrahydroborate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 tris(2-(2-(1-methyl)imidazolyl)methylaminoethyl)amine
  参考文献：
  名称：

  Encapsulating ruthenium and osmium with tris(2-aminoethyl)amine based tripodal ligands

  摘要：

  The reaction of a series of tripodal ligands, H3L1.2 and L3-6, with [M(PPh3)(2)Cl-2[(M = Ru, Os) affords a family of coordination cage compounds of the type [(ML1.2)-L-III] (1-4) or [(ML3-6)-L-II](BPh4)(2) (5-12). The Schiff base ligands (H3L1, L-3, L-5) have been synthesized by condensation of tris(2-aminoethyl)amine with salicylaldehyde, pyridine-2-aldehyde and 1-methy1-2-imidazolecarboxaldehyde. These ligands were further reduced and subsequently methylated to form the new ligands (H3L2, L-4, L-6). Single crystal X-ray diffraction studies of 1 and 2 show that the tripodal ligand wraps around the metal center as a hexadentate ligand to form a cage. All the synthesized compounds have been thoroughly characterized by ESI-MS, FT-IR, UV-Vis and NMR spectroscopic methods. To the best of our knowledge, this is the first ever report of osmium complexes with tris(2-aminoethyl)amine based tripodal ligands. DFT calculations were performed to obtain geometry optimized structures of all the other complexes (3-12). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.010
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 1-甲基-1H-咪唑-2-甲醛 以 甲醇 、 甲苯 为溶剂， 以76%的产率得到2-[(1-methylimidazol-2-yl)methylideneamino]-N,N-bis[2-[(1-methylimidazol-2-yl)methylideneamino]ethyl]ethanamine
  参考文献：
  名称：

  Encapsulating ruthenium and osmium with tris(2-aminoethyl)amine based tripodal ligands

  摘要：

  The reaction of a series of tripodal ligands, H3L1.2 and L3-6, with [M(PPh3)(2)Cl-2[(M = Ru, Os) affords a family of coordination cage compounds of the type [(ML1.2)-L-III] (1-4) or [(ML3-6)-L-II](BPh4)(2) (5-12). The Schiff base ligands (H3L1, L-3, L-5) have been synthesized by condensation of tris(2-aminoethyl)amine with salicylaldehyde, pyridine-2-aldehyde and 1-methy1-2-imidazolecarboxaldehyde. These ligands were further reduced and subsequently methylated to form the new ligands (H3L2, L-4, L-6). Single crystal X-ray diffraction studies of 1 and 2 show that the tripodal ligand wraps around the metal center as a hexadentate ligand to form a cage. All the synthesized compounds have been thoroughly characterized by ESI-MS, FT-IR, UV-Vis and NMR spectroscopic methods. To the best of our knowledge, this is the first ever report of osmium complexes with tris(2-aminoethyl)amine based tripodal ligands. DFT calculations were performed to obtain geometry optimized structures of all the other complexes (3-12). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.010