1-(5-chloro-2-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine | 1204524-74-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(5-chloro-2-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
• CAS: 1204524-74-2
• 化学式: C₁₃H₇Cl₂FN₂O₂
• 分子量: 313.115
• InChiKey: ADFMLJAYNYJJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.79
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.5
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  三光气 、 1-(5-chloro-2-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine 在 三氢化钐 、 四氯化钛 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到6-Chloro-4-[6-chloro-3-(3-chloro-4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]-3-(3-chloro-4-fluorophenyl)-1,4-dihydroquinazolin-2-one
  参考文献：
  名称：

  Oriented Synthesis and In Vitro Anticancer Activity of Biquinazoline-2,2′-diones

  摘要：

  The synthesis of a series of biquinazoline-2,2'-diones starting from o-nitrobenzaldehydes, anilines, and triphosgene is presented. This general approach features a novel and easy way for access to the target products. The mechanistic course of the reaction suggests the involvement of reduction, coupling, and cyclization by one-pot. These compounds were also investigated in vitro for anticancer activity, and sonic were found to have good anticancer activity.

  DOI：

  10.1021/cc9001247
• 作为产物：
  描述：

  3-氯-4-氟苯胺 、 5-氯-2-硝基苯甲醛 以 乙醇 为溶剂， 反应 2.0h， 生成 1-(5-chloro-2-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
  参考文献：
  名称：

  Oriented Synthesis and In Vitro Anticancer Activity of Biquinazoline-2,2′-diones

  摘要：

  The synthesis of a series of biquinazoline-2,2'-diones starting from o-nitrobenzaldehydes, anilines, and triphosgene is presented. This general approach features a novel and easy way for access to the target products. The mechanistic course of the reaction suggests the involvement of reduction, coupling, and cyclization by one-pot. These compounds were also investigated in vitro for anticancer activity, and sonic were found to have good anticancer activity.

  DOI：

  10.1021/cc9001247