[Fe(5-bromosalicylaldehyde (carboxymethyl)trimethylammonium hydrazone(-2H))Cl2] | 1228539-27-2

• 英文名称: [Fe(5-bromosalicylaldehyde (carboxymethyl)trimethylammonium hydrazone(-2H))Cl2]
• CAS: 1228539-27-2
• 化学式: C₁₂H₁₅BrCl₂FeN₃O₂
• 分子量: 439.927
• InChiKey: HGQRPLLGCVCCGH-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 [Fe(5-bromosalicylaldehyde (carboxymethyl)trimethylammonium hydrazone(-2H))Cl2] 以 乙醇 、 水 为溶剂， 以62%的产率得到[Fe(5-bromosalicylaldehyde (carboxymethyl)trimethylammonium hydrazone(-2H))(H2O)(NCS)2]
  参考文献：
  名称：

  Synthesis and structure of iron(III) complexes with a new ligands based on Girard’s reagent

  摘要：

  Condensation of 5-bromosalicylaldehyde with Girard's reagent T yields a new ligand in the form of a salt, 5-bromosalicylaldehyde (carboxymethyl)trimethylammonium chloride hydrazone (5-BrH(2)SalGT)Cl (I). Ligand I is readily soluble in water and reacts with iron chloride to give the complex [Fe(5-BrSalGT)Cl-2] (II). Treatment of II with KCNS leads to the compound [Fe(5-BrSalGT)(NCS)(2)(H2O)] (III). At any ratio of the initial reagents, only complexes with the ratio metal: ligand = 1: 1 are isolated. Comparison of the structural data for compounds I-III shows that ligand I is deprotonated in the course of complex formation and is coordinated in the anionic form. Its conformational rearrangement is minimal and involves only a change in the orientation of the terminal group N(CH3)(3). In complexes II and III, ligand I is coordinated to the metal ion through the ONO donor atoms. The structures of the complexes with different acido ligands are significantly different. Although the complexes contain each two inorganic anions, their coordination polyhedra differ from each other. In II, the iron atom is at the center of a trigonal bipyramid, whereas in III the iron atom has a tetragonal-bipyramidal environment due to the extra coordination of a water molecule. In both complexes, the iron atom is in the high-spin state: at room temperature, mu(eff) is 5.86 and 5.81 mu(B) for II and III, respectively. Complexes II and III are ordinary paramagnets down to 2 K.

  DOI：

  10.1134/s0036023609100143
• 作为产物：
  描述：

  iron(III) chloride hexahydrate 、 5-bromosalicylaldehyde (carboxymethyl)trimethylammonium chloride hydrazone 以 乙醇 为溶剂， 以84%的产率得到[Fe(5-bromosalicylaldehyde (carboxymethyl)trimethylammonium hydrazone(-2H))Cl2]
  参考文献：
  名称：

  Synthesis and structure of iron(III) complexes with a new ligands based on Girard’s reagent

  摘要：

  Condensation of 5-bromosalicylaldehyde with Girard's reagent T yields a new ligand in the form of a salt, 5-bromosalicylaldehyde (carboxymethyl)trimethylammonium chloride hydrazone (5-BrH(2)SalGT)Cl (I). Ligand I is readily soluble in water and reacts with iron chloride to give the complex [Fe(5-BrSalGT)Cl-2] (II). Treatment of II with KCNS leads to the compound [Fe(5-BrSalGT)(NCS)(2)(H2O)] (III). At any ratio of the initial reagents, only complexes with the ratio metal: ligand = 1: 1 are isolated. Comparison of the structural data for compounds I-III shows that ligand I is deprotonated in the course of complex formation and is coordinated in the anionic form. Its conformational rearrangement is minimal and involves only a change in the orientation of the terminal group N(CH3)(3). In complexes II and III, ligand I is coordinated to the metal ion through the ONO donor atoms. The structures of the complexes with different acido ligands are significantly different. Although the complexes contain each two inorganic anions, their coordination polyhedra differ from each other. In II, the iron atom is at the center of a trigonal bipyramid, whereas in III the iron atom has a tetragonal-bipyramidal environment due to the extra coordination of a water molecule. In both complexes, the iron atom is in the high-spin state: at room temperature, mu(eff) is 5.86 and 5.81 mu(B) for II and III, respectively. Complexes II and III are ordinary paramagnets down to 2 K.

  DOI：

  10.1134/s0036023609100143