[Zn(bis(3-carboxylate-5-methyl-1H-1-pyrazolyl)methane)(H2O)2] | 799765-01-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Zn(bis(3-carboxylate-5-methyl-1H-1-pyrazolyl)methane)(H2O)2]
• CAS: 799765-01-8
• 化学式: C₁₁H₁₄N₄O₆Zn
• 分子量: 363.645
• InChiKey: UTZTYLPLVKNEFT-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为产物：
  描述：

  1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3-carboxylic acid 、 zinc diacetate 、 水 以 甲醇 为溶剂， 生成 [Zn(bis(3-carboxylate-5-methyl-1H-1-pyrazolyl)methane)(H2O)2]
  参考文献：
  名称：

  New N , N , O , O functionalized heteroscorpionate ligands and related Zn(II) and Cd(II) derivatives

  摘要：

  The new [(3-carboxy-5-methyl-1H-1-pyrazolyl) (3-methyl-5-carboxy-1H-1-pyrazolyl)methane], CH2(Pz(COOH,Me))(Pz(Me,COOH)), and bis(3-carboxy-5-methyl-1H-1-pyrazolyl)methane, CH2(Pz(COOH,Me))(2), ligands are prepared in CH2Cl2/H2O solution using the ethyl 3-methylpyrazole-5-carboxylate, an excess of Na2CO3, and benzyltriethylammonium chloride as the phase transfer catalyst. The CH2(Pz(COOH,Me))(2) ligand reacts with ZnAC(2) and CdCl2 in the presence of two equivalents of NaOH, to yield the {M[CH2(Pz(COOH,Me))(2)].nH(2)O} (M = Zn(II), n = 2; M = Cd(II), n = 1) complexes. All compounds have been fully characterized by elemental analyses and FT-IR in the solid state and by NMR (H-1, (13), and Cd-113) spectroscopy and electrospray ionization mass spectrometry in solution. The complexes likely contain a five- or six-coordinate metal core in which the ligand is coordinated to the metal ions in the kappa(4)-NN',O,O'fashion. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.05.002