(E,E)-N,N'-(Ethane-1,2-diyl)bis[1-(4,5-dimethoxy-2-nitrophenyl)methanimine] | 58522-70-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E,E)-N,N'-(Ethane-1,2-diyl)bis[1-(4,5-dimethoxy-2-nitrophenyl)methanimine]
• 英文别名: 1-(4,5-dimethoxy-2-nitrophenyl)-N-[2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]ethyl]methanimine
• CAS: 58522-70-6
• 化学式: C₂₀H₂₂N₄O₈
• 分子量: 446.417
• InChiKey: VZKCBOTVIAZVLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (E,E)-N,N'-(Ethane-1,2-diyl)bis[1-(4,5-dimethoxy-2-nitrophenyl)methanimine] 在 三氢化钐 、 三溴化硼 、 四氯化钛 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.5h， 生成 2,3,12,13-tetrahydroxy-5,10,18,20-tetraazi-6,9-dioxoazadecahydro[5]helicene
  参考文献：
  名称：

  Facile, Efficient, and Diastereoselective Synthesis of Heterohelicene-like Molecules

  摘要：

  A concise and efficient route to new and interesting heterohelicene-like molecules has been developed through the one-pot, cascade reductive coupling reaction of o-hydroxydiimines or o-nitrodiimines and triphosgene in the presence of TiCl4/Sm. Purification of the final products only required a single recrystallization leading to high purity. High diastereoselectivity was also achieved, and two structures of the final products were confirmed by X-ray diffraction analysis.

  DOI：

  10.1021/ol400154j
• 作为产物：
  描述：

  6-硝基藜芦醛 、 乙二胺 以 乙醇 为溶剂， 反应 4.0h， 生成 (E,E)-N,N'-(Ethane-1,2-diyl)bis[1-(4,5-dimethoxy-2-nitrophenyl)methanimine]
  参考文献：
  名称：

  Facile, Efficient, and Diastereoselective Synthesis of Heterohelicene-like Molecules

  摘要：

  A concise and efficient route to new and interesting heterohelicene-like molecules has been developed through the one-pot, cascade reductive coupling reaction of o-hydroxydiimines or o-nitrodiimines and triphosgene in the presence of TiCl4/Sm. Purification of the final products only required a single recrystallization leading to high purity. High diastereoselectivity was also achieved, and two structures of the final products were confirmed by X-ray diffraction analysis.

  DOI：

  10.1021/ol400154j