(E)-2-(3-(3-hydroxyphenyl)acryloyl)-3H-benzo[f]chromen-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: (E)-2-(3-(3-hydroxyphenyl)acryloyl)-3H-benzo[f]chromen-3-one
• 英文别名: 2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]benzo[f]chromen-3-one
• 化学式: C₂₂H₁₄O₄
• 分子量: 342.351
• InChiKey: BXKIGVHUKPFUCL-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium hydroxide 、 氯碘羟喹 、 (E)-2-(3-(3-hydroxyphenyl)acryloyl)-3H-benzo[f]chromen-3-one 、 copper(II) nitrate trihydrate 以 乙醇 、 水 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Thermal, kinetic, spectroscopic studies and anti-microbial, anti-tuberculosis, anti-oxidant properties of clioquinol and benzo-coumarin derivatives mixed complexes with copper ion

  摘要：

  A series of six Cu(II) complexes of clioquinol with benzo-coumarin derivatives have been synthesized. Physico-chemical, spectroscopic, and thermal properties of the complexes have been studied on the basis of infrared spectra, mass spectra, NMR spectra, electronic spectra, elemental analyses, and thermogravimetric analyses. The kinetic parameters such as order of reaction (n), energy of activation (E (a)), entropy (S*), pre-exponential factor (A), enthalpy (H*), and Gibbs free energy (G*) have been calculated using Freeman-Carroll method. All the compounds were screened for their anti-bacterial activity against Escherichia coli, Pseudomonas aeruginosa, Streptococcus pyogenes, Bacillus subtilis, and anti-fungal activity against Candida albicans and Aspergillus niger. Ferric-reducing anti-oxidant power of all complexes were measured. Also the compounds against Mycobacterium tuberculosis shows clear enhancement in the anti-tubercular activity upon copper complexation.

  DOI：

  10.1007/s00044-013-0576-6
• 作为产物：
  描述：

  2-羟基-1-萘甲醛 在 哌啶 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 8.34h， 生成 (E)-2-(3-(3-hydroxyphenyl)acryloyl)-3H-benzo[f]chromen-3-one
  参考文献：
  名称：

  Thermal, kinetic, spectroscopic studies and anti-microbial, anti-tuberculosis, anti-oxidant properties of clioquinol and benzo-coumarin derivatives mixed complexes with copper ion

  摘要：

  A series of six Cu(II) complexes of clioquinol with benzo-coumarin derivatives have been synthesized. Physico-chemical, spectroscopic, and thermal properties of the complexes have been studied on the basis of infrared spectra, mass spectra, NMR spectra, electronic spectra, elemental analyses, and thermogravimetric analyses. The kinetic parameters such as order of reaction (n), energy of activation (E (a)), entropy (S*), pre-exponential factor (A), enthalpy (H*), and Gibbs free energy (G*) have been calculated using Freeman-Carroll method. All the compounds were screened for their anti-bacterial activity against Escherichia coli, Pseudomonas aeruginosa, Streptococcus pyogenes, Bacillus subtilis, and anti-fungal activity against Candida albicans and Aspergillus niger. Ferric-reducing anti-oxidant power of all complexes were measured. Also the compounds against Mycobacterium tuberculosis shows clear enhancement in the anti-tubercular activity upon copper complexation.

  DOI：

  10.1007/s00044-013-0576-6

文献信息

• Thermal, kinetic, spectroscopic studies and anti-microbial, anti-tuberculosis, anti-oxidant properties of clioquinol and benzo-coumarin derivatives mixed complexes with copper ion
  作者：Hitesh R. Dholariya、Ketan S. Patel、Jiten C. Patel、Atul K. Patel、Kanuprasad D. Patel

  DOI：10.1007/s00044-013-0576-6

  日期：2013.12

  A series of six Cu(II) complexes of clioquinol with benzo-coumarin derivatives have been synthesized. Physico-chemical, spectroscopic, and thermal properties of the complexes have been studied on the basis of infrared spectra, mass spectra, NMR spectra, electronic spectra, elemental analyses, and thermogravimetric analyses. The kinetic parameters such as order of reaction (n), energy of activation (E (a)), entropy (S*), pre-exponential factor (A), enthalpy (H*), and Gibbs free energy (G*) have been calculated using Freeman-Carroll method. All the compounds were screened for their anti-bacterial activity against Escherichia coli, Pseudomonas aeruginosa, Streptococcus pyogenes, Bacillus subtilis, and anti-fungal activity against Candida albicans and Aspergillus niger. Ferric-reducing anti-oxidant power of all complexes were measured. Also the compounds against Mycobacterium tuberculosis shows clear enhancement in the anti-tubercular activity upon copper complexation.