6,6'-p-Phenylen-di-<2-oxo-4-phenyl-cyclohex-3-en-carbonsaeure-(1)-ethylester> | 96772-34-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,6'-p-Phenylen-di-<2-oxo-4-phenyl-cyclohex-3-en-carbonsaeure-(1)-ethylester>
• 英文别名: 6,6'-p-Phenylen-di-(2-oxo-4-phenyl-cyclohex-3-en-carbonsaeure-(1)-ethylester)；Ethyl 6-[4-(6-ethoxycarbonyl-5-oxo-3-phenyl-cyclohex-3-en-1-yl)phenyl]-2-oxo-4-phenyl-cyclohex-3-ene-1-carboxylate；ethyl 6-[4-(6-ethoxycarbonyl-5-oxo-3-phenylcyclohex-3-en-1-yl)phenyl]-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate
• CAS: 96772-34-8
• 化学式: C₃₆H₃₄O₆
• 分子量: 562.662
• InChiKey: AVRQQNZWYZBFRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯乙酮 在 sodium ethanolate 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 6,6'-p-Phenylen-di-<2-oxo-4-phenyl-cyclohex-3-en-carbonsaeure-(1)-ethylester>
  参考文献：
  名称：

  Synthesis and in vitro microbiological evaluation of novel diethyl 6,6′-(1,4-phenylene)bis(4-aryl-2-oxo-cyclohex-3-enecarboxylates)

  摘要：

  Novel bis cyclohexenone ester derivatives 14-19 were synthesized and characterized by their spectral data. In vitro microbiological evaluations were carried out for all the novel compounds 14-19 against clinically isolated bacterial and fungal strains. Compounds 15, 16, 18 against Staphylococcus aureus, 14, 15 against beta-Haemolytic streptococcus, 15, 19 against Micrococcus luteus, 17, 18 against Salmonella typhii, 14, 17 against Shigella flexneri, 15 against Escherichia coli, 16 against Pseudomonas aeruginosa, 15, 18, 19 against Klebsiella pneumonia exhibited potent antibacterial activity at an minimum inhibitory concentration (MIC) value of 6.25 mu g/ml, whereas compound 16 against Aspergillus flavus, 17 against A. niger, 16, 18 against Mucor indicus, 15, 17-19 against Microsporum gypseum revealed excellent antifungal activity at an MIC value of 6.25 mu g/ml.

  DOI：

  10.3109/14756366.2010.530263

文献信息

• Synthesis and <i>in vitro</i> microbiological evaluation of novel diethyl 6,6′-(1,4-phenylene)<i>bis</i>(4-aryl-2-oxo-cyclohex-3-enecarboxylates)
  作者：V. Kanagarajan、M. R. Ezhilarasi、M. Gopalakrishnan

  DOI：10.3109/14756366.2010.530263

  日期：2011.8.1

  Novel bis cyclohexenone ester derivatives 14-19 were synthesized and characterized by their spectral data. In vitro microbiological evaluations were carried out for all the novel compounds 14-19 against clinically isolated bacterial and fungal strains. Compounds 15, 16, 18 against Staphylococcus aureus, 14, 15 against beta-Haemolytic streptococcus, 15, 19 against Micrococcus luteus, 17, 18 against Salmonella typhii, 14, 17 against Shigella flexneri, 15 against Escherichia coli, 16 against Pseudomonas aeruginosa, 15, 18, 19 against Klebsiella pneumonia exhibited potent antibacterial activity at an minimum inhibitory concentration (MIC) value of 6.25 mu g/ml, whereas compound 16 against Aspergillus flavus, 17 against A. niger, 16, 18 against Mucor indicus, 15, 17-19 against Microsporum gypseum revealed excellent antifungal activity at an MIC value of 6.25 mu g/ml.