methyl 3-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylthio)propanoate | 1404074-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 3-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylthio)propanoate
• 英文别名: Methyl 3-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylthio)propanoate；methyl 3-(3-chloro-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate
• CAS: 1404074-64-1
• 化学式: C₁₄H₁₁ClO₄S
• 分子量: 310.758
• InChiKey: HKWJIWWZURTEOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  85.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 3-巯基丙酸甲酯 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以52%的产率得到methyl 3-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylthio)propanoate
  参考文献：
  名称：

  Synthesis of novel 1,4-naphthoquinone derivatives: antibacterial and antifungal agents

  摘要：

  A novel series of substituted 1,4-naphthoquinone derivatives was synthesized and evaluated for antibacterial and antifungal activity. The structures of the novel products were characterized by spectroscopic methods. Among the tested compounds, 3a and 9 are the most effective compounds against M. luteum as potent antibacterial and C. tenuis and A. niger as potent antifungal. These two compounds are promising as biologically active compounds.

  DOI：

  10.1007/s00044-012-0300-y

文献信息

• Synthesis, antibacterial and antifungal evaluation of thio- or piperazinyl-substituted 1,4-naphthoquinone derivatives
  作者：Cemil Ibis、Zeliha Ozsoy-Gunes、Amac Fatih Tuyun、Sibel Sahinler Ayla、Hakan Bahar、Maryna V. Stasevych、Rostyslav Ya. Musyanovych、Olena Komarovska-Porokhnyavets、Volodymyr Novikov

  DOI：10.1080/17415993.2016.1187734

  日期：2016.9.2

  different reaction media and evaluated for their antibacterial and antifungal activities. The structures of the novel products were characterized by spectroscopic methods, such as microanalysis, 1H NMR, 13C NMR and MS. Among the tested compounds 9, 12 and 18 are the most effective compounds against Candida tenuis as potent antifungal compounds. Compound 9 is also the most effective compound against

  摘要 在不同反应介质中合成了 2,3-二氯-1,4-萘醌化合物 1 的一系列 S-, S,S-, S,O-, N- 和 N,S-衍生物并评价了它们的抗菌性。和抗真菌活性。通过微量分析、1H NMR、13C NMR和MS等光谱方法对新产物的结构进行了表征。在测试的化合物 9、12 和 18 中，作为有效的抗真菌化合物，是对抗细念珠菌最有效的化合物。化合物 9 也是对抗金黄色葡萄球菌最有效的化合物，是一种有效的抗真菌化合物。图形概要
• Synthesis of novel 1,4-naphthoquinone derivatives: antibacterial and antifungal agents
  作者：Cemil Ibis、Amac Fatih Tuyun、Hakan Bahar、Sibel Sahinler Ayla、Maryna V. Stasevych、Rostyslav Ya. Musyanovych、Olena Komarovska-Porokhnyavets、Volodymyr Novikov

  DOI：10.1007/s00044-012-0300-y

  日期：2013.6

  A novel series of substituted 1,4-naphthoquinone derivatives was synthesized and evaluated for antibacterial and antifungal activity. The structures of the novel products were characterized by spectroscopic methods. Among the tested compounds, 3a and 9 are the most effective compounds against M. luteum as potent antibacterial and C. tenuis and A. niger as potent antifungal. These two compounds are promising as biologically active compounds.