bis(4,5-dihydro-1H-imidazol-2-yl-methyl)amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: bis(4,5-dihydro-1H-imidazol-2-yl-methyl)amine
• 英文别名: Bis(4,5-dihydro-1h-imidazol-2-yl-methyl)amine；1-(4,5-dihydro-1H-imidazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)methanamine
• 化学式: C₈H₁₅N₅
• 分子量: 181.241
• InChiKey: LWBPXCKHWBHWBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  60.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(4,5-dihydro-1H-imidazol-2-yl-methyl)amine 、 三氯化铁 以 甲醇 为溶剂， 生成 FeCl3(bis(4,5-dihydro-1H-imidazol-2-yl-methyl)amine)
  参考文献：
  名称：

  Spectral studies of Fe(III) complexes of dipodal tridentate chelating agents

  摘要：

  The dipodal ligands (lm) and (Blm) as well as complexes [FeLCl3] [L=lm (1) and Blm (2)] have been prepared and studied using spectroscopic techniques. The magnetic moment, IR. electronic (ligand field), FAB-mass and NMR spectral data indicate a hexa-coordinate geometry around high-spin state Fe3+ where the ligands coordinate as a tridentate [N,N,N] chelating agent. Fe-57-Mossbauer spectral data confirmed the presence of a ligand asymmetry around Fe3+ in a high-spin state electronic configuration (t(2g)(3),e(g)(2), S= 5/2) with nuclear transition Fe(+/- 3/2 -> +/- 1/2) exhibiting Kramer's double degeneracy. The molecular computations provided the optimum energy perspective plots for the molecular geometries giving the important structural data. Crown Copyright (C) 2008 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.07.016
• 作为产物：
  描述：

  乙二胺 、 亚氨基二乙酸 在 磷酸 作用下， 反应 2.0h， 以79%的产率得到bis(4,5-dihydro-1H-imidazol-2-yl-methyl)amine
  参考文献：
  名称：

  Spectral studies of Fe(III) complexes of dipodal tridentate chelating agents

  摘要：

  The dipodal ligands (lm) and (Blm) as well as complexes [FeLCl3] [L=lm (1) and Blm (2)] have been prepared and studied using spectroscopic techniques. The magnetic moment, IR. electronic (ligand field), FAB-mass and NMR spectral data indicate a hexa-coordinate geometry around high-spin state Fe3+ where the ligands coordinate as a tridentate [N,N,N] chelating agent. Fe-57-Mossbauer spectral data confirmed the presence of a ligand asymmetry around Fe3+ in a high-spin state electronic configuration (t(2g)(3),e(g)(2), S= 5/2) with nuclear transition Fe(+/- 3/2 -> +/- 1/2) exhibiting Kramer's double degeneracy. The molecular computations provided the optimum energy perspective plots for the molecular geometries giving the important structural data. Crown Copyright (C) 2008 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.07.016