Cu2(α-[(etylamino)methyl]-3-hydroxy-benzenemethanol)2Cl2 | 307975-83-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Cu2(α-[(etylamino)methyl]-3-hydroxy-benzenemethanol)2Cl2
• 英文别名: Cu2(Effortil)2Cl2；chlorocopper(1+);2-(ethylamino)-1-(3-hydroxyphenyl)ethanolate
• CAS: 307975-83-3
• 化学式: C₂₀H₂₈Cl₂Cu₂N₂O₄
• 分子量: 558.451
• InChiKey: MDXMBXORSXMXOI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [bis(methyldiphenylphosphonio)methylide]CF3SO3 、 Cu(α-[(ethylamino)methyl]-3-hydroxy-benzenemethanol)2*2MeOH 在 Cu⁽²⁺⁾ 作用下， 以 甲醇 为溶剂， 生成 Cu2(α-[(etylamino)methyl]-3-hydroxy-benzenemethanol)2Cl2
  参考文献：
  名称：

  Complexes of Cu(II) with α-[(ethylamino)methyl]-3-hydroxy, benzenemethanol (Effortil). Crystal structure of the mononuclear Cu(II) complex with Effortil

  摘要：

  The complexation processes between Cu(II) and the antihypotension drug Effortil (HEff) at different reaction conditions lead to the formation of two types of complex - a mononuclear violet one, CuEff(2). 2CH(3)OH, and the binuclear green Cu(2)Eff(2)Cl(2). Monocrystals of the mononuclear CuEff(2). 2CH(3)OH complex were isolated and their structure determined by X-ray diffraction. Copper is coordinated through O- and N of OH and NH groups from the ligands in a perfectly flat tetragon. The crystal structure also includes two solvent CH3OH molecules per CuEff(2) unit. The CuEff(2) fragments are linked by hydrogen bonds. The binuclear Cu(2)Eff(2)Cl(2) complex was characterized using electronic and IR spectra, EPR, magnetochemical, calorimetric, thermogravimetric methods and elemental analysis. The complex contains bidentately bound monoanionic ligands and chloride ions. Each Cu atom is coordinated with NH, and bridged by the deprotonated OH group of Effortil with the second Cu center. The chloride ions are coordinated with copper as terminal ligands. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00468-x