2-Amino-4-(4-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one | 1009022-32-5

• 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: 2-Amino-4-(4-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
• 英文别名: 2-amino-4-(4-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
• CAS: 1009022-32-5
• 化学式: C₁₆H₁₂BrN₅O
• 分子量: 370.208
• InChiKey: FJHYRPVCXSMRIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-氧代-1H-喹唑啉-2-基)胍 、 对溴苯甲醛 以 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到2-Amino-4-(4-bromophenyl)-1,4-dihydro-[1,3,5]triazino[2,1-b]quinazolin-6-one
  参考文献：
  名称：

  Simple synthesis of 2‐amino‐4‐(het)aryl‐4,6‐dihydro‐1(3)(11)H‐[1,3,5]triazino[2,1‐b]quinazolin‐6‐ones

  摘要：

  Abstractmagnified imageThe 2‐amino‐4‐(het)aryl‐4,6‐dihydro‐1(3)(11)H‐[1,3,5]triazino[2,1‐b]quinazolin‐6‐ones were prepared readily by cyclocondensation of anthranilic acid derived 4‐oxo‐3,4‐dihydroquinazolinyl‐2‐guanidine with a variety of aldehydes. The structures of the compounds were confirmed by nmr spectroscopy, including 2D NOESY experiments.

  DOI：

  10.1002/jhet.5570450119

文献信息

• Simple synthesis of 2‐amino‐4‐(het)aryl‐4,6‐dihydro‐1(3)(11)<i>H</i>‐[1,3,5]triazino[2,1‐<i>b</i>]quinazolin‐6‐ones
  作者：Anton V. Dolzhenko、Anna V. Dolzhenko、Wai‐Keung Chui

  DOI：10.1002/jhet.5570450119

  日期：2008.1

  Abstractmagnified imageThe 2‐amino‐4‐(het)aryl‐4,6‐dihydro‐1(3)(11)H‐[1,3,5]triazino[2,1‐b]quinazolin‐6‐ones were prepared readily by cyclocondensation of anthranilic acid derived 4‐oxo‐3,4‐dihydroquinazolinyl‐2‐guanidine with a variety of aldehydes. The structures of the compounds were confirmed by nmr spectroscopy, including 2D NOESY experiments.