5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline | 1254972-96-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline
• CAS: 1254972-96-7
• 化学式: C₂₁H₁₅ClN₂OS
• 分子量: 378.882
• InChiKey: KKQFMBOSQHGKAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  33.62
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-3-(phenoxathiin-2-yl)-2-pyrazoline 、 硫代异氰酸苯酯 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以60%的产率得到1-N-phenylthiocarbamoyl-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 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以69%的产率得到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