2-(4-chlorobenzylthio)-3-(4-(2-fluorophenyl)piperazin-1-yl)naphthalene-1,4-dione | 1404074-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-chlorobenzylthio)-3-(4-(2-fluorophenyl)piperazin-1-yl)naphthalene-1,4-dione
• 英文别名: 2-(4-Chlorobenzylthio)-3-(4-(2-fluorophenyl)piperazin-1-yl)naphthalene-1,4-dione；2-[(4-chlorophenyl)methylsulfanyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]naphthalene-1,4-dione
• CAS: 1404074-74-3
• 化学式: C₂₇H₂₂ClFN₂O₂S
• 分子量: 493.001
• InChiKey: FIWHCAFCMVVZAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  65.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-3-((4-chlorobenzyl)thio)naphthalene-1,4-dione 、 1-(2-氟苯基)哌嗪 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以88%的产率得到2-(4-chlorobenzylthio)-3-(4-(2-fluorophenyl)piperazin-1-yl)naphthalene-1,4-dione
  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 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.