[Cu(1-phenyl-2,3-dimethyl-4-(N-2-oxy-methoxybenzaldehyde)-3-pyrazolin-5-one)2] | 1265897-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cu(1-phenyl-2,3-dimethyl-4-(N-2-oxy-methoxybenzaldehyde)-3-pyrazolin-5-one)2]
• CAS: 1265897-12-8
• 化学式: C₃₈H₃₆CuN₆O₆
• 分子量: 736.286
• InChiKey: LGEKGXBUFOLTDB-KJIDPWMZSA-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (E)-4-[(2‑hydroxy-4-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 反应 3.0h， 以78%的产率得到[Cu(1-phenyl-2,3-dimethyl-4-(N-2-oxy-methoxybenzaldehyde)-3-pyrazolin-5-one)2]
  参考文献：
  名称：

  带有衍生自4-氨基安替比林的双齿席夫碱配体的铜（II）配合物的合成，晶体结构，理论计算，光谱和抗菌活性的研究：取代对抗菌活性的影响

  摘要：

  一系列新颖的Cu（II）配合物，包括：[Cu（L 1）2 ]：C1，[Cu（L 2）2 ]：C2，[Cu（L 3）2 ]：C3，[Cu（L 4））2 ]：C4，具有四个双-N，O-双齿席夫碱配体（H L 1：（E）-4-[（2-羟基-3-甲氧基亚苄基）氨基] -1,5-二甲基-2-苯基-1,2-二氢-3 H-吡唑-3-酮; H L 2：（E）-4-[（2-羟基-4-甲氧基亚苄基）氨基] -1,5-二甲基-2-苯基-1,2-二氢-3 H-吡唑-3-酮; H L 3：（E）-4-[（2-羟基-5-甲氧基亚苄基）氨基] -1,5-二甲基-2-苯基-1，2-二氢-3 H-吡唑-3-酮；H L 4：（E）-4-[（2-羟基-6-甲氧基亚苄基）氨基] -1,5-二甲基-2-苯基-1，2-二氢-3 H-吡唑-3-酮并通过元素分析，FT-IR，1 H NMR和13表征13 C NMR光谱技术。此外，通过单晶X射线分析确定了H

  DOI：

  10.1016/j.molstruc.2021.129908

文献信息

• Some new Cu(II) complexes containing an ON donor Schiff base: Synthesis, characterization and antibacterial activity
  作者：Tudor Rosu、Elena Pahontu、Catalin Maxim、Rodica Georgescu、Nicolae Stanica、Aurelian Gulea

  DOI：10.1016/j.poly.2010.10.001

  日期：2011.1

  Six new copper(II) complexes, CuLCl center dot H2O (1), CuL(NO3)center dot 2H(2)O (2), [Cu(L)(2)] (3), CuL(SCN)center dot 2H(2)O (4), CuL(-ClO4)center dot 2H(2)O (5) and (CuL)(2)(SO4)center dot 4H(2)O (6), where HL= 1-phenyl-2,3-dimethyl-4-(N-2-hydroxy-4-methoxy-benzaldehyde)-3-pyrazolin-5-one, have been synthesized. The characterization of the newly formed compounds was done by H-1 NMR, UV-Vis, IR, ESR spectroscopy, elemental analysis and molar electric conductivity. The crystal structure of 1-phenyl-2,3-dimethyl-4-(N-2-hydroxy-4-methoxy-benzaldehyde)-3-pyrazolin-5-one has been determined by X-ray diffraction studies, as well as the crystal structure of one of its copper(II) complexes, [Cu(L)(2)] (3). The copper atom is coordinated to two nitrogen and two oxygen atoms of the Schiff base ligand. The in vitro antibacterial activity against Klebsiella pneumoniae ATCC 100131, Staphylococcus aureus var. Oxford 6538, Pseudomonas aeruginosa ATCC 9027 and Escherichia coli ATCC 10536 strains was studied and compared with that of free ligand. The anti-microbial activity was dependent on the microbial species tested and the metal salt anion used. (C) 2010 Elsevier Ltd. All rights reserved.