3-(-(2-mercaptophenylimino)methyl)-4H-chromen-4-one | 1418000-81-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(-(2-mercaptophenylimino)methyl)-4H-chromen-4-one
• 英文别名: 3-[(2-Sulfanylphenyl)iminomethyl]chromen-4-one；3-[(2-sulfanylphenyl)iminomethyl]chromen-4-one
• CAS: 1418000-81-3
• 化学式: C₁₆H₁₁NO₂S
• 分子量: 281.335
• InChiKey: RQLUCVKJUKGIJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(-(2-mercaptophenylimino)methyl)-4H-chromen-4-one 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Synthesis, structural characterization, fluorescence, antimicrobial, antioxidant and DNA cleavage studies of Cu(II) complexes of formyl chromone Schiff bases

  摘要：

  Cu(II) complexes have been synthesized from different Schiff bases, such as 3-((2-hydroxy phenylimino)methyl)-4H-chromen-4-one (HL1), 2((4-oxo-4H-chromen-3-yl)methylneamino) benzoicacid (HL2), 3((3-hydroxypyridin-2-ylimino)methyl)-4H-chromen-4-one (HL3) and 3((2-mercaptophenylimino)methyl)-4H-chromen-4-one (HL4). The complexes were characterized by analytical, molar conductance, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data reveal that metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the Cu(II) complexes are neutral. On the basis of magnetic and electronic spectral data, distorted octahedral geometry is proposed for all the Cu(II) complexes. Thermal behaviour of the synthesized complexes illustrates the presence of lattice water molecules in the complexes. X-ray diffraction studies reveal that all the ligands and their Cu(II) complexes have triclinic system with different unit cell parameters. Antimicrobial, antioxidant and DNA cleavage activities indicate that metal complexes exhibited greater activity as compared with ligands. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.10.037
• 作为产物：
  描述：

  色酮-3-甲醛 、 2-氨基苯硫醇 以 甲醇 为溶剂， 反应 0.5h， 生成 3-(-(2-mercaptophenylimino)methyl)-4H-chromen-4-one
  参考文献：
  名称：

  Synthesis, structural characterization, fluorescence, antimicrobial, antioxidant and DNA cleavage studies of Cu(II) complexes of formyl chromone Schiff bases

  摘要：

  Cu(II) complexes have been synthesized from different Schiff bases, such as 3-((2-hydroxy phenylimino)methyl)-4H-chromen-4-one (HL1), 2((4-oxo-4H-chromen-3-yl)methylneamino) benzoicacid (HL2), 3((3-hydroxypyridin-2-ylimino)methyl)-4H-chromen-4-one (HL3) and 3((2-mercaptophenylimino)methyl)-4H-chromen-4-one (HL4). The complexes were characterized by analytical, molar conductance, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data reveal that metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the Cu(II) complexes are neutral. On the basis of magnetic and electronic spectral data, distorted octahedral geometry is proposed for all the Cu(II) complexes. Thermal behaviour of the synthesized complexes illustrates the presence of lattice water molecules in the complexes. X-ray diffraction studies reveal that all the ligands and their Cu(II) complexes have triclinic system with different unit cell parameters. Antimicrobial, antioxidant and DNA cleavage activities indicate that metal complexes exhibited greater activity as compared with ligands. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.10.037

文献信息

• Synthesis, structural characterization, fluorescence, antimicrobial, antioxidant and DNA cleavage studies of Cu(II) complexes of formyl chromone Schiff bases
  作者：P. Kavitha、M. Saritha、K. Laxma Reddy

  DOI：10.1016/j.saa.2012.10.037

  日期：2013.2

  Cu(II) complexes have been synthesized from different Schiff bases, such as 3-((2-hydroxy phenylimino)methyl)-4H-chromen-4-one (HL1), 2((4-oxo-4H-chromen-3-yl)methylneamino) benzoicacid (HL2), 3((3-hydroxypyridin-2-ylimino)methyl)-4H-chromen-4-one (HL3) and 3((2-mercaptophenylimino)methyl)-4H-chromen-4-one (HL4). The complexes were characterized by analytical, molar conductance, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data reveal that metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the Cu(II) complexes are neutral. On the basis of magnetic and electronic spectral data, distorted octahedral geometry is proposed for all the Cu(II) complexes. Thermal behaviour of the synthesized complexes illustrates the presence of lattice water molecules in the complexes. X-ray diffraction studies reveal that all the ligands and their Cu(II) complexes have triclinic system with different unit cell parameters. Antimicrobial, antioxidant and DNA cleavage activities indicate that metal complexes exhibited greater activity as compared with ligands. (C) 2012 Elsevier B.V. All rights reserved.