N,N,N',N'-tetrakis[3-(1H-pyrrol-2-ylmethylideneamino)propyl]butane-1,4-diamine | 1246171-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N,N,N',N'-tetrakis[3-(1H-pyrrol-2-ylmethylideneamino)propyl]butane-1,4-diamine
• CAS: 1246171-89-0
• 化学式: C₃₆H₅₂N₁₀
• 分子量: 624.876
• InChiKey: JHLGSOZRYPMIKU-UHFFFAOYSA-N

物化性质

• 沸点：
  861.3±65.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  46
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N,N',N'-tetrakis[3-(1H-pyrrol-2-ylmethylideneamino)propyl]butane-1,4-diamine 、 nickel(II) acetate tetrahydrate 在 NaOH 作用下， 以 甲醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Cu(II) and Ni(II) complexes based on monofunctional and dendrimeric pyrrole-imine ligands: Applications in catalytic liquid phase hydroxylation of phenol

  摘要：

  New bis(pyrrolide-imine) copper(II) and Ni(II) complexes C1 and C2 [{(C3H7)-N=CH (C4H3N)}(2)Cu], [{(C3H7)-N=CH-(C4H3N)}(2)Ni] as well as the bimetallic dendrimeric (pyrrolide-imine) copper(II) and nickel(II) complexes C3 and C4, [DAB-{(N=CH-C4H3N)(4)}Cu-2], [DAB-{(N=CH-C4H3N)(4)}Ni-2] (DAB = G1-polypropyleneimine dendrimer with a diaminobutane core) were prepared in good yields. The structure and composition of the complexes were confirmed by a combination of analytical techniques. These complexes were investigated as catalysts in the hydroxylation of phenol in aqueous media in the pH range of 2-6 for the mononuclear complexes, C1 and C2 while the bimetallic systems, C3 and C4 were studied over the pH range 2-8. H2O2 was used as the oxidant under an oxygen atmosphere. The copper systems generally showed higher activity as compared to their nickel analogues. Catechol was the predominant product followed by hydroquinone with small amounts of para-benzoquinone. The nickel complexes showed better selectivity for catechol. The pH of the reaction medium also plays a role in both activity and selectivity with pH 3 being optimal for activity and pH 6 for selectivity to catechol. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.05.010
• 作为产物：
  描述：

  2-吡咯甲醛 、 N,N,N,N-四(3-氨基丙基)-1,4-丁二胺 在 magnesium sulfate 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 反应 48.0h， 以41%的产率得到N,N,N',N'-tetrakis[3-(1H-pyrrol-2-ylmethylideneamino)propyl]butane-1,4-diamine
  参考文献：
  名称：

  Cu(II) and Ni(II) complexes based on monofunctional and dendrimeric pyrrole-imine ligands: Applications in catalytic liquid phase hydroxylation of phenol

  摘要：

  New bis(pyrrolide-imine) copper(II) and Ni(II) complexes C1 and C2 [{(C3H7)-N=CH (C4H3N)}(2)Cu], [{(C3H7)-N=CH-(C4H3N)}(2)Ni] as well as the bimetallic dendrimeric (pyrrolide-imine) copper(II) and nickel(II) complexes C3 and C4, [DAB-{(N=CH-C4H3N)(4)}Cu-2], [DAB-{(N=CH-C4H3N)(4)}Ni-2] (DAB = G1-polypropyleneimine dendrimer with a diaminobutane core) were prepared in good yields. The structure and composition of the complexes were confirmed by a combination of analytical techniques. These complexes were investigated as catalysts in the hydroxylation of phenol in aqueous media in the pH range of 2-6 for the mononuclear complexes, C1 and C2 while the bimetallic systems, C3 and C4 were studied over the pH range 2-8. H2O2 was used as the oxidant under an oxygen atmosphere. The copper systems generally showed higher activity as compared to their nickel analogues. Catechol was the predominant product followed by hydroquinone with small amounts of para-benzoquinone. The nickel complexes showed better selectivity for catechol. The pH of the reaction medium also plays a role in both activity and selectivity with pH 3 being optimal for activity and pH 6 for selectivity to catechol. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.05.010