N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine | 1161736-64-6

• 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: N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine
• 英文别名: N,N'-bis(2-(hydroxymethyl)benzyl)ethylenediamine；[2-[[2-[[2-(hydroxymethyl)phenyl]methylamino]ethylamino]methyl]phenyl]methanol
• CAS: 1161736-64-6
• 化学式: C₁₈H₂₄N₂O₂
• 分子量: 300.401
• InChiKey: UIVRJPQFVLMSBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.5
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(羟甲基)苯甲醛 、 乙二胺 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以6.7 g的产率得到N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine
  参考文献：
  名称：

  A two-dimensional layer inN,N′-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network inN,N′-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)

  摘要：

  In both title compounds, C18H24N2O2, (Ia), and C18H26N2O22+center dot 2ClO(4)(-), (II), respectively, the two aryl rings are strictly parallel, with an inversion centre lying at the mid-point of each central CH2-CH2 bond. Molecules in (Ia) are linked into two-dimensional layers by N-H center dot center dot center dot O hydrogen bonds. The component ions in (II) are joined together by a combination of N/O/C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi and anion center dot center dot center dot pi interactions, forming a three-dimensional network. A structural understanding of (Ia) and (II) may provide some useful information about how and why their metal-organic complexes display various biological activities and function in catalytic processes.

  DOI：

  10.1107/s0108270108008937

文献信息

• A two-dimensional layer in<i>N</i>,<i>N</i>′-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in<i>N</i>,<i>N</i>′-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)
  作者：Min Zhang、Xiang-Gao Meng、Zong-Qiu Hu、Xing-Man Xu

  DOI：10.1107/s0108270108008937

  日期：2008.5.15

  In both title compounds, C18H24N2O2, (Ia), and C18H26N2O22+center dot 2ClO(4)(-), (II), respectively, the two aryl rings are strictly parallel, with an inversion centre lying at the mid-point of each central CH2-CH2 bond. Molecules in (Ia) are linked into two-dimensional layers by N-H center dot center dot center dot O hydrogen bonds. The component ions in (II) are joined together by a combination of N/O/C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi and anion center dot center dot center dot pi interactions, forming a three-dimensional network. A structural understanding of (Ia) and (II) may provide some useful information about how and why their metal-organic complexes display various biological activities and function in catalytic processes.