3-(4-Fluorophenyl)-4-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]-1,4-dihydroquinazolin-2-one | 1204524-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(4-Fluorophenyl)-4-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]-1,4-dihydroquinazolin-2-one
• CAS: 1204524-88-8
• 化学式: C₂₈H₂₀F₂N₄O₂
• 分子量: 482.489
• InChiKey: GFTAQGSNYZXDLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三光气 、 o-nitrobenzylidene p-fluoroaniline 在 三氢化钐 、 四氯化钛 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到3-(4-Fluorophenyl)-4-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]-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

文献信息

• Oriented Synthesis and In Vitro Anticancer Activity of Biquinazoline-2,2′-diones
  作者：Guolan Dou、Daqing Shi、Yonghai Li

  DOI：10.1021/cc9001247

  日期：2010.1.11

  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.