3,5-diamino-4-(4-fluorophenylazo)-1-(6-methylbenzothiazol-2-yl)pyrazole | 1415668-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3,5-diamino-4-(4-fluorophenylazo)-1-(6-methylbenzothiazol-2-yl)pyrazole
• 英文别名: 4-[(E)-(4-fluorophenyl)azo]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3,5-diamine；4-[(4-fluorophenyl)diazenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3,5-diamine
• CAS: 1415668-15-3
• 化学式: C₁₇H₁₄FN₇S
• 分子量: 367.409
• InChiKey: VKCNTFHMXONFSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氟苯胺 在 盐酸 、 溶剂黄146 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 3,5-diamino-4-(4-fluorophenylazo)-1-(6-methylbenzothiazol-2-yl)pyrazole
  参考文献：
  名称：

  Synthesis of some new 3,5-diamino-4-(4′-fluorophenylazo)-1-aryl/heteroarylpyrazoles as antimicrobial agents

  摘要：

  Synthesis of some new 3,5-diamino-4-(4'-fluorophenylazo)-1-aryl/heteroarylpyrazoles (5a-5i) was achieved by the treatment of aryl/heteroarylhydrazines 4a-4i with 2-[(4-fluorophenyl)hydrazono]malononitrile 3 in refluxing ethanol. The structure of the compounds was established on the basis of IR, NMR (H-1 and C-13) and mass spectral studies. All the nine synthesized compounds were screened for their in vitro antimicrobial activity against two Gram-positive (Staphylococcus aureus, Bacillus subtilis), two Gram-negative bacteria (Escherichia coli, Klebesiella aerogenes) and three pathogenic fungi (Aspergillus niger, Candida albicans, and Saccharomyces cerevisiae).

  DOI：

  10.1007/s00044-012-0343-0

文献信息

• Synthesis of some new 3,5-diamino-4-(4′-fluorophenylazo)-1-aryl/heteroarylpyrazoles as antimicrobial agents
  作者：Ranjana Aggarwal、Virender Kumar、Girish Kumar Gupta、Vinod Kumar

  DOI：10.1007/s00044-012-0343-0

  日期：2013.8

  Synthesis of some new 3,5-diamino-4-(4'-fluorophenylazo)-1-aryl/heteroarylpyrazoles (5a-5i) was achieved by the treatment of aryl/heteroarylhydrazines 4a-4i with 2-[(4-fluorophenyl)hydrazono]malononitrile 3 in refluxing ethanol. The structure of the compounds was established on the basis of IR, NMR (H-1 and C-13) and mass spectral studies. All the nine synthesized compounds were screened for their in vitro antimicrobial activity against two Gram-positive (Staphylococcus aureus, Bacillus subtilis), two Gram-negative bacteria (Escherichia coli, Klebesiella aerogenes) and three pathogenic fungi (Aspergillus niger, Candida albicans, and Saccharomyces cerevisiae).