3-(5-chloro-2-nitrophenyl)-2-(4-chlorophenyl)prop-2-enenitrile | 1393939-14-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-(5-chloro-2-nitrophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
• CAS: 1393939-14-4
• 化学式: C₁₅H₈Cl₂N₂O₂
• 分子量: 319.147
• InChiKey: LPOLXRHKNDDZAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(5-chloro-2-nitrophenyl)-2-(4-chlorophenyl)prop-2-enenitrile 在 tin(II) chloride dihdyrate 、 盐酸 、 水 作用下， 以 乙醇 为溶剂， 以83%的产率得到2-amino-6-chloro-3-(4-chlorophenyl)quinoline 1-oxide
  参考文献：
  名称：

  Novel and efficient synthesis of substituted quinoline-1-oxides and the complex compounds SnL2Cl2 (L=2-aminoquinoline-1-oxides) with the aid of stannous chloride

  摘要：

  A novel and efficient approach to the synthesis of substituted quinoline-1-oxides and the complex compounds SnL2Cl2 (L=2-aminoquinoline-1-oxides) was developed. The reaction has fancy selectivity when 3-(2-nitrophenyl)acrylonitriles were treated with the aid of SnCl2 reagent under the same conditions. When R is -CN or -COOR' the complex compounds SnL2Cl2 (L=2-aminoquinoline-1-oxides) were obtained. Whereas, when R is H or aryl another series of substituted quinoline-1-oxides were formed. The products have been screened for their anticancer activities. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.049