[Cu(methanol)(1,10-phenanthroline)(malonato)] | 1055317-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [Cu(methanol)(1,10-phenanthroline)(malonato)]
• 英文别名: [Cu(MeOH)(phen)(mal)]
• CAS: 1055317-49-1
• 化学式: C₁₆H₁₄CuN₂O₅
• 分子量: 377.844
• InChiKey: PCJUUNBNBIOGQZ-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：

  copper(II) choride dihydrate 、 甲醇 、 丙二酸 、 邻菲罗啉 在 LiOH*H₂O 作用下， 以 甲醇 为溶剂， 生成 [Cu(methanol)(1,10-phenanthroline)(malonato)]
  参考文献：
  名称：

  A systematic investigation of the CuCl2/H2mal/phen reaction system (H2mal=malonic acid): Solution and solid state studies of its products

  摘要：

  The systematic investigation of the parameter space of the CuCl2/H(2)mal/phen reaction system in MeOH resulted in the isolation of seven different complexes either as mixtures or in pure form, six of which have been structurally characterized. The molar ratios of the reactants and the crystallization methods have been systematically varied, leading to the isolation of compounds [Cu(H2O)(phen)(mal)] (1), [Cu(MeOH) (phen)(mal)] (2), [Cu2Li2Cl2(phen)(2)(mal)(2)(MeOH)(4)] (3), [Cu-2(phen)(4)(mal)][CuCl(phen)(mal)](OH) (4), [CuCl(phen)(2)]Cl (S), and [CuCl(phen)(oral)][CuCl(phen)(2)][Cu(phen)(2)(Hmal)]Cl (6). The coordination versatility of the malonato ligand has been confirmed by the presence of three different coordination modes and its two deprotonation states in compounds 1-6. Solution studies on methanolic solutions of 2-4 and 6 by mass spectrometry revealed the absence of parent ion peak and the presence of fragment ions of low relative abundance not previously found in their crystal structure, thus indicating decomposition and rearrangement/reorganization of the complexes in solution and confirming the dynamic character of their solutions. Compounds 3 and 4 have been also studied in the solid state by EPR spectroscopy and magnetic measurements. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.04.044