[Fe(tren(pyr)3] | 65878-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Fe(tren(pyr)3]
• CAS: 65878-96-8
• 化学式: C₂₁H₂₄N₇*Fe
• 分子量: 430.315
• InChiKey: WUNQNUMUAFILFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  29.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.62
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-吡咯甲醛 、 三(2-氨基乙基)胺 、 三氯化铁 、 水杨醛 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 [Fe(tren(sal)3)] 、 [Fe(tren(pyr)3] 、 [Fe(tren(pyr)2(sal)] 、 [Fe(tren(pyr)(sal)2]
  参考文献：
  名称：

  Preparation and separation of asymmetric tripodal iron complexes of tren and selected aldehydes

  摘要：

  Reaction of iron salts with the tripodal ligands formed from the condensation of tris-(2-aminoethyl)amine (tren) with the following mixtures of aldehydes, 2-pyridinecarboxaldehyde (py) and 6-methyl-2-pyridinecarboxaldehyde (6-CH3PY), salicylaldehyde (sal) and 2-hydroxy-5-methylbenzaldehyde (5-CH(3)sal), salicylaldehyde and pyrrole-2-carboxaldehyde (pyr), and 4-methyl-5-imidazole-carboxaldehyde (4-CH(3)ImH) and salicylaldehyde yielded mixtures of all four possible iron complexes, [Fe(tren)LxLy'](z) (x+y = 3), where L and L' represent different aldehydes. Preliminary indication of mixtures of products was provided by IR and UV-Vis spectroscopy. Conclusive proof of the existence of all four components (x = 0-3) in each of the reaction mixtures is provided by mass spectroscopy. Separation of the [Fetren(sal)(x)(4-CH(3)ImH)(y)](ClO4)y mixture can be achieved using a Sephadex ion exchange column. Treatment of the two observed fractions with base yields greatly enriched [Fetren(sal)(2)(4-CH(3)Im)] and [Fetren(sal)(4-CH(3)Im)(2)], which were identified by mass spectroscopy. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.07.044