6-chloro-3,4-bis-(4-chloro-phenyl)-pyridazine | 70777-03-6

• 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-bis-(4-chloro-phenyl)-pyridazine
• 英文别名: 6-Chloro-3,4-bis(4-chlorophenyl)pyridazine
• CAS: 70777-03-6
• 化学式: C₁₆H₉Cl₃N₂
• 分子量: 335.62
• InChiKey: KKJGDDXCXUMPBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  476.8±45.0 °C(Predicted)
• 密度：
  1.385±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  壬胺 、 6-chloro-3,4-bis-(4-chloro-phenyl)-pyridazine 以75.3%的产率得到[5,6-Bis-(4-chloro-phenyl)-pyridazin-3-yl]-nonyl-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：

  3,4-Bis-(4-chloro-phenyl)-4-oxo-butyric acid ethyl ester 在 sodium hydroxide 、 一水合肼 、 sodium 3-nitrobenzenesulfonate 、 三氯氧磷 作用下， 以 sodium hydroxide 、 乙醇 为溶剂， 反应 9.0h， 生成 6-chloro-3,4-bis-(4-chloro-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