(imidazole)(N-carbamoylmethyliminodiacetato)copper(II) | 258855-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (imidazole)(N-carbamoylmethyliminodiacetato)copper(II)
• 英文别名: copper;2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)amino]acetate;1H-imidazole
• CAS: 258855-39-9
• 化学式: C₉H₁₂CuN₄O₅
• 分子量: 319.764
• InChiKey: GJMYCKNSYHYHDH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  咪唑 、 malachite 、 N-(2-乙酰胺基)-2-亚氨基二乙酸 以 水 为溶剂， 以90%的产率得到(imidazole)(N-carbamoylmethyliminodiacetato)copper(II)
  参考文献：
  名称：

  Checking for the possibility of an ‘amidomethyl’ N-substituent being involved in the iminodiacetat–copper(II) chelation: synthesis, molecular and crystal structure and properties of (imidazole)(N-carbamoylmethyl-iminodiacetat)copper(II), [Cu(ADA)(ImH)]

  摘要：

  The stoichiometric reaction of copper(II) hydroxycarbonate, N-carbamoylmethyl-iminodiacetic acid [H(2)ADA = H2NCOCH2N(CH2CO2H)(2))], and imidazole (ImH) in water) yields crystalline samples of (imidazole) (N-carbamoylmethyl-iminodiacetate)copper(II), [Cu(ADA)(TmH)] (compound I). The compound was characterized by TG analysis (with IR study of the evolved gasses) and by spectral (IR, electronic and ESR spectral and single crystal X-ray diffraction methods. In compound I, ADA acts as a tetradentate ligand and the Cu(II) atom exhibiting a square base pyramidal coordination (type 4 + 1). Coordination bond distances (Angstrom): Cu(1)-N = 2,040(2), Cu(1)-O(11) = 1.943(2), Cu(1)-O(21) = 1.964(2) and Cu(1)-O(31) = 2.322(2) with ADA and Cu(1)-N(1) = 1.960(2) with ImH. The tetradentate chelating role of ADA is discussed on the basis of the preference to the O(amido) donor atom (versus the N one) of ADA to occupy an axial/remote coordination position around the Cu(II) atom as well as by the expected mer-chelating configuration of the 'Cu-iminodiacetato' moiety (Cu-IDA) upon the imidazole-copper(II) coordination in the studied mixed-ligand complex I (having a 1:1:1 Cu/ADA/ImH molar ratio). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00271-5