6-Chloro-3-(4-chloro-phenyl)-4-phenyl-pyridazine | 136549-56-9

• 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: 6-Chloro-3-(4-chloro-phenyl)-4-phenyl-pyridazine
• CAS: 136549-56-9
• 化学式: C₁₆H₁₀Cl₂N₂
• 分子量: 301.175
• InChiKey: NARJQMAKBIAAOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  正己胺 、 6-Chloro-3-(4-chloro-phenyl)-4-phenyl-pyridazine 以72.9%的产率得到6-(4-chlorophenyl)-N-hexyl-5-phenylpyridazin-3-amine
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351
• 作为产物：
  描述：

  6-(4-Chloro-phenyl)-5-phenyl-2H-pyridazin-3-one 在 三氯氧磷 作用下， 反应 3.0h， 以85.4%的产率得到6-Chloro-3-(4-chloro-phenyl)-4-phenyl-pyridazine
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351