N,N,N',N'-tetrakis(1-hydroxymethyl-2-benzymidazolylmethyl)-1,2-ethanediamine | 174683-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N,N,N',N'-tetrakis(1-hydroxymethyl-2-benzymidazolylmethyl)-1,2-ethanediamine
• 英文别名: [2-[[2-[Bis[[1-(hydroxymethyl)benzimidazol-2-yl]methyl]amino]ethyl-[[1-(hydroxymethyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]methanol
• CAS: 174683-77-3
• 化学式: C₃₈H₄₀N₁₀O₄
• 分子量: 700.8
• InChiKey: NVFSCEOWXKJBAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 N,N,N',N'-tetrakis(1-hydroxymethyl-2-benzymidazolylmethyl)-1,2-ethanediamine 以 乙腈 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Preparation and Characterization of Cobalt(II) Complexes Derived from Hexadentate ‘Tripod’ Ligand and Their Potentials as Epoxidation Catalysts

  摘要：

  The ligand N,N,N',N'-tetrakis (1-hydroxymethyl-2-benzimidazolymethyl)-1,2- ethanediamine (HMEDTB) (L) has been prepared and characterized by elemental analyses and spectral data. Its reaction with cobalt(II) chloride hexahydrate, or cobalt(II) nitrate hexahydrate in the molar ratio of 1:2 in acetonitrile afforded the complexes [Co(L)](2+) 2NO(3)(-) (1), and [Co-2(L)Cl-2](2+) 2Cl(-) (2), respectively. Elemental analyses and spectral data on compound (1) show it to be a mononuclear cationic cobalt(Il) complex in an octahedral geometry, with two nitrate ions as counterions. Similar data on compound (2) reveal the presence of a cationic dicobalt complex with bridging hydroxide in possibly a trigonal bipyramidal geometry. Compounds(1) and (2) catalysed the epoxidation of styrene in 53.8 and 34.3% yields, respectively.

  DOI：

  10.1080/00945719608004241