Ni(2-methyllactate)2(imidazole)2 | 724425-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ni(2-methyllactate)2(imidazole)2
• 英文别名: 2-hydroxy-2-methylpropanoate;1H-imidazole;nickel(2+)
• CAS: 724425-23-4
• 化学式: C₁₄H₂₂N₄NiO₆
• 分子量: 401.042
• InChiKey: KZZVCEVIQAUVHA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.17
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  咪唑 、 2-甲基-2-羟基丙酸 、 nickel(II) acetate tetrahydrate 以 乙醇 为溶剂， 以81%的产率得到Ni(2-methyllactate)2(imidazole)2
  参考文献：
  名称：

  Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole

  摘要：

  Nine mononuclear metal complexes of monoanionic alpha-hydroxycarboxylates (HL') with imidazole as a co-ligand have been synthesised and structurally characterized by X-ray diffraction. The nickel(II) complexes can be described by two formulae: [Ni(HL')(2)(Im)(2)], HL'=2-methyllactate (HmL) (1) or mandelate (HM) (2), and [Ni(HB)(2)(IM)(3)], HB=benzylate (3). In these compounds the nickel atom is in a distorted octahedral environment. The copper(II) complexes of the general formula [Cu(HL')(2)(Im)], HL' = glycolate (HG) (4), lactate (HL) (5) or 2-methyllactate (HmL) (6) presents a square pyramidal coordination geometry with a distortion evaluated in terms of the tau parameter. The zinc(II) complexes have the general formula [Zn(HL')(2)(Im)(2)] (.) xH(2)O. HL'= lactate (HL) and x = 1/2 (7), 2-methyllactate (HmL) and x = 0 (8) and display a distorted octahedral geometry. However, the reaction with H2B afforded the imidazole complex [Zn(IM)6](HB)2, HB = benzylate (9), which has two uncoordinated benzylate units. In most of the complexes the alpha-hydroxycarboxylato ligands behave as bidentate monoanionic systems, apart from in 3. where one ligand is monodentate. All of the complexes are extended into 2D or 3D frameworks through hydrogen bonding. The complexes were also characterized by elemental analysis, FT-IR and UV/Vis spectroscopy. The nickel and copper compounds were also studied by room temperature magnetic susceptibility and room temperature ESR spectra were obtained for the copper compounds. Finally, the thermal behaviour of all the compounds was investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.02.028