bis(2-{(E)-[(4-chlorophenyl)imino]methyl}phenolate)zinc(II) | 16985-34-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: bis(2-{(E)-[(4-chlorophenyl)imino]methyl}phenolate)zinc(II)
• 英文别名: bis(N-(p-chlorophenyl)salicylaldiminato)zinc(II)；Zn(2-(((4-chlorophenyl)imino)methyl)phenol)₂
• CAS: 16985-34-5
• 化学式: C₂₆H₁₈Cl₂N₂O₂Zn
• 分子量: 526.737
• InChiKey: ZZADSKRQPOUIHA-CBNWXSEKSA-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

• 作为反应物：
  描述：

  bis(2-{(E)-[(4-chlorophenyl)imino]methyl}phenolate)zinc(II) 在 air 作用下， 生成 一氧化碳 、 氮 、 氢气 、 2,6-Bis(4-chlorophenyl)phenol 、 锌 、 苯酚
  参考文献：
  名称：

  Synthesis and distinct urease enzyme inhibitory activities of metal complexes of Schiff-base ligands: Kinetic and thermodynamic parameters evaluation from TG-DTA analysis

  摘要：

  Transition metal [Co, Ni, Cu and Zn(II) acetates] complexes of salicylaldehyde derived Schiff bases, 2-{(E)-[(4-chlorophenyl)imino]methyl}phenol (CIMP) and 2-{(E)-[(4-bromophenyl)imino]methyl}phenol (BIMP) were synthesized and characterized by various analytical and spectroscopic studies. The Schiff base ligands and their metal complexes were also screened for their urease, alpha-chymotrypsin, acetylcholinesterse and butyrylcholinesterase inhibition activities. The ligands were found active against alpha-chymotrypsin with IC50 +/- S.E.M. = 305.0 +/- 3.2 and 330.6 +/- 1.6 mu M respectively. The copper complexes of both the ligands were found active in inhibiting urease enzyme with IC50 +/- S.E.M.=10.7 +/- 0.2 and 5.0 +/- 0.1 mu M respectively, as compared to standard inhibitor. Structure activity relationship (SAR) was evaluated using autodock programme. It was found that the active complexes block the entrance cavity to the enzyme. All the complexes were evaluated for their thermal degradation studies using TG-DTA analytical methods in static air. Thermodynamic and kinetic parameters were evaluated from the TG/DTA curves using Horowitz-Metzger method. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.tca.2012.12.023
• 作为产物：
  描述：

  对氯苯胺 在 硫酸 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 bis(2-{(E)-[(4-chlorophenyl)imino]methyl}phenolate)zinc(II)
  参考文献：
  名称：

  Synthesis and distinct urease enzyme inhibitory activities of metal complexes of Schiff-base ligands: Kinetic and thermodynamic parameters evaluation from TG-DTA analysis

  摘要：

  Transition metal [Co, Ni, Cu and Zn(II) acetates] complexes of salicylaldehyde derived Schiff bases, 2-{(E)-[(4-chlorophenyl)imino]methyl}phenol (CIMP) and 2-{(E)-[(4-bromophenyl)imino]methyl}phenol (BIMP) were synthesized and characterized by various analytical and spectroscopic studies. The Schiff base ligands and their metal complexes were also screened for their urease, alpha-chymotrypsin, acetylcholinesterse and butyrylcholinesterase inhibition activities. The ligands were found active against alpha-chymotrypsin with IC50 +/- S.E.M. = 305.0 +/- 3.2 and 330.6 +/- 1.6 mu M respectively. The copper complexes of both the ligands were found active in inhibiting urease enzyme with IC50 +/- S.E.M.=10.7 +/- 0.2 and 5.0 +/- 0.1 mu M respectively, as compared to standard inhibitor. Structure activity relationship (SAR) was evaluated using autodock programme. It was found that the active complexes block the entrance cavity to the enzyme. All the complexes were evaluated for their thermal degradation studies using TG-DTA analytical methods in static air. Thermodynamic and kinetic parameters were evaluated from the TG/DTA curves using Horowitz-Metzger method. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.tca.2012.12.023

文献信息

• Facile synthesis, solublization studies and anti-inflammatory activity of amorphous zinc(II) centered aldimine complexes
  作者：Uzma ALI、Aneela MAALIK、Muhammad Babar TAJ、Ahmad RAHEEL、Ahmad Kaleem QURESHI、Muhammad IMRAN、Muhammad SHARIF、Syed Ahmad TIRMIZI、Sadia NOOR、Heba ALSHATER

  DOI：10.33224/rrch.2020.65.10.08

  日期：——

  In this study, Zn(II) centered complexes with aldimine derivatives were synthesized using green solvent, polyethylene glycol (PEG-400) and amorphous complexes were characterized by FT-IR, multinuclear (1H and 13C NMR), elemental and thermal analysis. Thermogravimetric analysis indicated the extended thermal stability of the synthesized complexes. All the Zn(II) complexes show very significant photoexcitation in the range of 318 – 384 nm and photoemission in the range of 502 – 562 nm. Among all the complexes, Zn(II) complex (3Zn) showed minimum band gap value, 2.35 eV. These amorphous complexes have been reported for their wide applications in biomedical sciences. The synthesized aldimine ligands and Zn(II) complexes were investigated for anti-inflammatory activity and these complexes showed more anti-inflammatory potential than the corresponding aldimine ligands. The solubilization of zinc complexes in sodium dodecyl sulphate was also investigated to reveal the interaction of metal complexes by using UV-Visible spectroscopy and electrical conductivity measurements.

  在这项研究中，使用绿色溶剂聚乙二醇（PEG-400）合成了以aldimine衍生物为中心的Zn(II)配合物，并通过FT-IR、多核（1H和13C NMR）、元素和热分析对非晶态配合物进行了表征。热重分析表明了合成配合物的延展热稳定性。所有的Zn(II)配合物在318-384 nm范围内表现出非常显著的光激发，502-562 nm范围内的光发射。在所有配合物中，Zn(II)配合物（3Zn）显示出最小的带隙值，为2.35 eV。这些非晶态配合物已被报道在生物医学科学中具有广泛的应用。合成的aldimine配体和Zn(II)配合物被用于抗炎活性的研究，这些配合物显示出比相应的aldimine配体更强的抗炎潜力。还研究了在十二烷基硫酸钠中的锌配合物的溶解度，通过紫外-可见光谱和电导率测量揭示了金属配合物的相互作用。
• Zinc(II) derivatives of N, O containing Schiff bases: synthesis, characterization, computational and biological studies
  作者：Saadia Batool、Imtiaz-Ud-Din、Anham Zafar、Muhammad Athar、Mehwish Mehmood、Muhammad Nawaz Tahir、Ihsan-Ul Haq、Sayed Sikander Azam

  DOI：10.1080/00958972.2023.2230607

  日期：2023.5.19

  Abstract Bidentate Schiff bases (I1–I9) are synthesized by condensation between substituted anilines, benzothiazoles, and 2-hydroxy aromatic aldehydes. The Zn(II) derivatives (1–9) are prepared by reacting the respective ligand and zinc acetate dihydrate in a 2:1 mole ratio in dry methanol using triethylamine as a base. They are characterized by FTIR, NMR, and single-crystal XRD techniques. The XRD

  摘要 双齿希夫碱 ( I 1 –I 9 ) 通过取代苯胺、苯并噻唑和 2-羟基芳香醛之间的缩合合成。Zn(II) 衍生物 ( 1–9 ) 的制备方法是，使用三乙胺作为碱，在无水甲醇中，将各自的配体与二水醋酸锌以 2:1 的摩尔比进行反应。它们通过 FTIR、NMR 和单晶 XRD 技术进行表征。XRD 数据证实了6的扭曲四面体分子几何形状; 通过 3-D Hirschfeld 表面分析和 2-D 指纹图全面研究了分子间相互作用。通过应用 3-21 G* 和 6-311++G (d, p)/B3LYP 基组对化合物进行 DFT 研究，以实现几何和能量优化。分子对接数据显示，配体的 GOLD 分数在 51.5-46.7 范围内，而2和3分别显示出良好的适合度分数，分别为 57.7 和 53.3，其中7的最高分数为 60.2 。7的抗菌数据显示，对金黄色葡萄球菌的抑制范围为17.3毫米，对表皮葡萄球菌的抑制范围为16
• Sogo, T.; Romero, J.; Sousa, A., Zeitschrift fur Naturforschung, B: Chemical Sciences
  作者：Sogo, T.、Romero, J.、Sousa, A.、Blas, A. de、Duran, M. L.、Castellano, E. E.

  DOI：——

  日期：——