benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone | 312517-69-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone
• 英文别名: 1-Phenyl-3-[(2-phenylmethoxyphenyl)methylideneamino]thiourea
• CAS: 312517-69-4
• 化学式: C₂₁H₁₉N₃OS
• mdl: MFCD01001899
• 分子量: 361.467
• InChiKey: TXQHZARCRNLYJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  77.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone 、 nickel dichloride 以 ethanol 为溶剂， 生成 [Ni(benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone)2Cl2]
  参考文献：
  名称：

  Copper(II) and nickel(II) complexes of benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone: Synthesis, characterization and biological activity

  摘要：

  Benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone ligand (L) has been synthesized from benzyloxybenzaldehyde and 4-phenyl-3-thiosemicarbazide. Complexes of this ligand with chlorides of Cu(II) and Ni(II) have been prepared. The structure of the ligand (L) is proposed based on elemental analysis, IR and H-1 NMR spectra. Its complexes with Cu(II) and Ni(II) ions are characterized from the studies of electronic as well as EPR spectra. On the basis of electronic and EPR studies, rhombically distorted octahedral structure has been proposed for Cu(II) complex while the Ni(II) complex has been found to acquire an octahedral structure. The ligand and their metal complexes have been tested in vitro for their biological effects. Their antibacterial activities against Gram-negative bacteria (Escherichia coli and Klebsiella pneumoniae) and Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) have been investigated. The prepared metal complexes exhibit higher antibacterial activities than the parent ligand. The in vitro antioxidant activity of free ligand and its metal(11) complexes have also been investigated and the results however reveal that the ligand exhibits greater antioxidant activity than its complexes. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.05.016
• 作为产物：
  描述：

  4-苯基-3-硫代氨基脲 、 2-苄氧基苯甲醛 以 乙醇 为溶剂， 反应 4.5h， 生成 benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone
  参考文献：
  名称：

  Mn（II）和Co（II）与苄氧基苯甲醛-4-苯基-3-硫代半胱氨酸配合物的合成，光谱表征和生物活性。

  摘要：

  合成了苄氧基苯甲醛-4-苯基-3-硫代半脲的Mn（II）和Co（II）配合物，并通过电子和EPR光谱研究以及X射线衍射对其进行了表征。基于光谱研究，为Mn（II）和Co（II）配合物指定了八面体几何形状。X射线粉末衍射研究表明Mn（II）和Co（II）配合物具有三斜晶格。Mn（II）配合物的晶胞参数为a = 11.0469Å，b = 6.2096Å，c = 7.4145Å，α= 90.646°，β= 95.127°，γ= 104.776°，V = 489.7Å（3）和Co（II）配合物的那些是a = 9.3236Å，b = 10.2410Å，c = 7.8326Å，α= 90.694°，β= 99.694°，γ= 100.476°，V = 724.2Å（3）。当游离配体及其金属配合物具有抗菌活性时，金属配合物被证明比配体更具活性。

  DOI：

  10.1016/j.saa.2011.01.029

文献信息

• Synthesis, spectral characterization and biological activities of Mn(II) and Co(II) complexes with benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone
  作者：B. Prathima、Y. Subba Rao、G.N. Ramesh、M. Jagadeesh、Y.P. Reddy、P.V. Chalapathi、A. Varada Reddy

  DOI：10.1016/j.saa.2011.01.029

  日期：2011.6

  lattices. The unit cell parameters of the Mn(II) complex are a=11.0469 Å, b=6.2096 Å, c=7.4145 Å, α=90.646°, β=95.127°, γ=104.776°, V=489.7 Å(3) and those of Co(II) complex are a=9.3236 Å, b=10.2410 Å, c=7.8326 Å, α=90.694°, β=99.694°, γ=100.476°, V=724.2 Å(3). When the free ligand and its metal complexes are subjected to antibacterial activity, the metal complexes are proved to be more active than the ligand

  合成了苄氧基苯甲醛-4-苯基-3-硫代半脲的Mn（II）和Co（II）配合物，并通过电子和EPR光谱研究以及X射线衍射对其进行了表征。基于光谱研究，为Mn（II）和Co（II）配合物指定了八面体几何形状。X射线粉末衍射研究表明Mn（II）和Co（II）配合物具有三斜晶格。Mn（II）配合物的晶胞参数为a = 11.0469Å，b = 6.2096Å，c = 7.4145Å，α= 90.646°，β= 95.127°，γ= 104.776°，V = 489.7Å（3）和Co（II）配合物的那些是a = 9.3236Å，b = 10.2410Å，c = 7.8326Å，α= 90.694°，β= 99.694°，γ= 100.476°，V = 724.2Å（3）。当游离配体及其金属配合物具有抗菌活性时，金属配合物被证明比配体更具活性。
• Copper(II) and nickel(II) complexes of benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone: Synthesis, characterization and biological activity
  作者：B. Prathima、Y. Subba Rao、S. Adinarayana Reddy、Y.P. Reddy、A. Varada Reddy

  DOI：10.1016/j.saa.2010.05.016

  日期：2010.9

  Benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone ligand (L) has been synthesized from benzyloxybenzaldehyde and 4-phenyl-3-thiosemicarbazide. Complexes of this ligand with chlorides of Cu(II) and Ni(II) have been prepared. The structure of the ligand (L) is proposed based on elemental analysis, IR and H-1 NMR spectra. Its complexes with Cu(II) and Ni(II) ions are characterized from the studies of electronic as well as EPR spectra. On the basis of electronic and EPR studies, rhombically distorted octahedral structure has been proposed for Cu(II) complex while the Ni(II) complex has been found to acquire an octahedral structure. The ligand and their metal complexes have been tested in vitro for their biological effects. Their antibacterial activities against Gram-negative bacteria (Escherichia coli and Klebsiella pneumoniae) and Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) have been investigated. The prepared metal complexes exhibit higher antibacterial activities than the parent ligand. The in vitro antioxidant activity of free ligand and its metal(11) complexes have also been investigated and the results however reveal that the ligand exhibits greater antioxidant activity than its complexes. (c) 2010 Elsevier B.V. All rights reserved.