1-thiocarbamoyl-5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline | 1254972-90-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-thiocarbamoyl-5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline
• CAS: 1254972-90-1
• 化学式: C₂₂H₁₆ClN₃OS₂
• 分子量: 437.974
• InChiKey: IEAHFKPYMRTWLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.99
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.85
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-thiocarbamoyl-5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline 、 alpha-溴-4-甲氧基苯乙酮 以 乙醇 为溶剂， 反应 2.0h， 以72%的产率得到1-[4-(p-methoxyphenyl)-2-thiazolyl]-3-(phenoxathiin-2-yl)-5-(4-chlorophenyl)-2-pyrazoline
  参考文献：
  名称：

  Synthesis of 3-(phenoxathiin-2-yl)-2-pyrazoline derivatives as new antibacterial and antifungal agents

  摘要：

  A new series of 3-(phenoxathiin-2-yl)-5-aryl-2-pyrazoline derivatives were synthesized from the reaction of 1-(phenoxathiin-2-yl)-3-phenyl/(4-chlorophenyl)propenones 1a and 1b with different nitrogen nucleophiles. The titled compounds were investigated for their antibacterial and antifungal activities and were compared with the standard drugs. Most of the synthesized compounds demonstrated potent to weak antimicrobial activity.

  DOI：

  10.1080/17415993.2010.497537
• 作为产物：
  描述：

  3-(4-chlorophenyl)-1-(phenoxathiin-2-yl)propenone 、 氨基硫脲 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以83%的产率得到1-thiocarbamoyl-5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline
  参考文献：
  名称：

  Synthesis of 3-(phenoxathiin-2-yl)-2-pyrazoline derivatives as new antibacterial and antifungal agents

  摘要：

  A new series of 3-(phenoxathiin-2-yl)-5-aryl-2-pyrazoline derivatives were synthesized from the reaction of 1-(phenoxathiin-2-yl)-3-phenyl/(4-chlorophenyl)propenones 1a and 1b with different nitrogen nucleophiles. The titled compounds were investigated for their antibacterial and antifungal activities and were compared with the standard drugs. Most of the synthesized compounds demonstrated potent to weak antimicrobial activity.

  DOI：

  10.1080/17415993.2010.497537