2-(2-chloroethyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone | 1403119-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(2-chloroethyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone
• 英文别名: 2-(2-chloroethyl)-6-(4-methoxyphenyl)pyridazin-3-one
• CAS: 1403119-15-2
• 化学式: C₁₃H₁₃ClN₂O₂
• 分子量: 264.711
• InChiKey: YKDLVIUUODBNGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-chloroethyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone 、 1-(4-氟苯基)哌嗪 在 sodium iodide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以33%的产率得到2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3(2H)-one
  参考文献：
  名称：

  Synthesis of some new 2,6-disubstituted-3(2H)-pyridazinone derivatives and investigation of their analgesic, anti-inflammatory and antimicrobial activities

  摘要：

  In this study, 12 new 3(2H)-pyridazinone derivatives carrying 4-substituted phenylpiperazinylethyl moiety on lactam nitrogen were synthesized and their chemical structures were confirmed by H-1-NMR, mass, and elemental analysis. Analgesic and anti-inflammatory activities of the synthesized compounds were evaluated in mice. Among the synthesized compounds, compound 9c showed the best analgesic and anti-inflammatory activities without causing any gastric effect in stomachs of tested animals. In addition, the synthesized compounds were screened for their antibacterial and antifungal activities against some pathogenic strains.

  DOI：

  10.1007/s00044-012-0253-1
• 作为产物：
  描述：

  对甲氧基苯乙酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 2-(2-chloroethyl)-6-(4-methoxyphenyl)-3(2H)-pyridazinone
  参考文献：
  名称：

  Synthesis of some new 2,6-disubstituted-3(2H)-pyridazinone derivatives and investigation of their analgesic, anti-inflammatory and antimicrobial activities

  摘要：

  In this study, 12 new 3(2H)-pyridazinone derivatives carrying 4-substituted phenylpiperazinylethyl moiety on lactam nitrogen were synthesized and their chemical structures were confirmed by H-1-NMR, mass, and elemental analysis. Analgesic and anti-inflammatory activities of the synthesized compounds were evaluated in mice. Among the synthesized compounds, compound 9c showed the best analgesic and anti-inflammatory activities without causing any gastric effect in stomachs of tested animals. In addition, the synthesized compounds were screened for their antibacterial and antifungal activities against some pathogenic strains.

  DOI：

  10.1007/s00044-012-0253-1