N,N'-bis(3,4-dimethoxybenzylidene)butane-1,4-diamine | 6970-46-3

• 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: N,N'-bis(3,4-dimethoxybenzylidene)butane-1,4-diamine
• 英文别名: (3,4-MeO-ba)2bn；1,4-Bis-(veratrylidenamino)-butan；(E,E)-N,N'-1,4-Butanediylbis[1-(3,4-dimethoxyphenyl)methanimine]；1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methylideneamino]butyl]methanimine
• CAS: 6970-46-3
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.475
• InChiKey: CHCYTHMZDWZWQV-UHFFFAOYSA-N

物化性质

• 沸点：
  525.6±50.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯甲醛 、 四亚甲基二胺 以 甲醇 、 氯仿 为溶剂， 反应 0.5h， 生成 N,N'-bis(3,4-dimethoxybenzylidene)butane-1,4-diamine
  参考文献：
  名称：

  Characterization of Schiff bases derived from 3,4-dimethoxybenzaldehyde: The crystal structure of N,N′-bis(3,4-dimethoxy-benzylidene)-2,2-dimethylpropane-1,3-diamine hydrate

  摘要：

  The Schiff base compounds N,N'-bis(3,4-dimethoxybenzylidene)-2,2-dimethylpropane-1,3-diamine hydrate, (3,4-MeO-ba)(2)Mepn.H2O (1), and N,N'-bis(3,4-dimethoxybenzylidene)butane-1,4-diamine, (3,4-MeO-ba)(2)bn (2), with different central groups derived from 3,4-dimethoxybenzaldehyde are synthesized and characterized by elemental analysis, FT-IR and H-1 NMR spectroscopy. The crystal structure of 1 is determined by single crystal X-ray diffraction. Each imino functional group (-C=N-) is coplanar with its adjacent benzene ring and the two benzene rings form a dihedral angle of 86.868(27)A degrees. Title compound 1 crystallizes in the monoclinic space group P2(1)/n with unit cell parameters: a = 9.0774(2) , b = 29.2138(5) , c = 8.5696(2) , beta = 92.4756(14)A degrees, V = 2270.41(8) (3) and Z = 4.

  DOI：

  10.1134/s0022476613040173

文献信息

• Characterization of Schiff bases derived from 3,4-dimethoxybenzaldehyde: The crystal structure of N,N′-bis(3,4-dimethoxy-benzylidene)-2,2-dimethylpropane-1,3-diamine hydrate
  作者：A. D. Khalaji、A. Foroghnia、K. Fejfarova、M. Dusek

  DOI：10.1134/s0022476613040173

  日期：2013.7

  The Schiff base compounds N,N'-bis(3,4-dimethoxybenzylidene)-2,2-dimethylpropane-1,3-diamine hydrate, (3,4-MeO-ba)(2)Mepn.H2O (1), and N,N'-bis(3,4-dimethoxybenzylidene)butane-1,4-diamine, (3,4-MeO-ba)(2)bn (2), with different central groups derived from 3,4-dimethoxybenzaldehyde are synthesized and characterized by elemental analysis, FT-IR and H-1 NMR spectroscopy. The crystal structure of 1 is determined by single crystal X-ray diffraction. Each imino functional group (-C=N-) is coplanar with its adjacent benzene ring and the two benzene rings form a dihedral angle of 86.868(27)A degrees. Title compound 1 crystallizes in the monoclinic space group P2(1)/n with unit cell parameters: a = 9.0774(2) , b = 29.2138(5) , c = 8.5696(2) , beta = 92.4756(14)A degrees, V = 2270.41(8) (3) and Z = 4.