copper(II) (4-(1H-1,2,4-trizol-1-ylmethyl)benzoicacid)₂Cl₂(H₂O) | 1612868-46-8

• 英文名称: copper(II) (4-(1H-1,2,4-trizol-1-ylmethyl)benzoicacid)₂Cl₂(H₂O)
• CAS: 1612868-46-8
• 化学式: C₂₀H₂₀Cl₂CuN₆O₅
• 分子量: 558.868
• InChiKey: APYAPXHXWVLONQ-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 、 4-(1H-1,2,4-噻唑-1-甲基)苯甲酸 以 水 为溶剂， 反应 72.0h， 以10%的产率得到copper(II) (4-(1H-1,2,4-trizol-1-ylmethyl)benzoicacid)₂Cl₂(H₂O)
  参考文献：
  名称：

  Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

  摘要：

  Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu0.5L](n) (1), [Cu(HL)(2)Cl-2](n) (2), [Cu(HL)(2)Cl-2(H2O)] (3), [Cu(L)(2)(H2O)](n) (4) and [Cu(L)(phen)(HCO2)(n) (3), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl-, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units -Cu-O-Cu-O are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound I exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. (C) 2014 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2014.04.012