7-methoxy-6-(2-methylpropoxy)-3H-quinazolin-4-one | 1494468-90-4

• 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: 7-methoxy-6-(2-methylpropoxy)-3H-quinazolin-4-one
• CAS: 1494468-90-4
• 化学式: C₁₃H₁₆N₂O₃
• 分子量: 248.282
• InChiKey: REMAEEYVMKPADJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-苄氧基-4-甲氧基-2-硝基苯甲醛 在 盐酸 、 过氧乙酸 、 硫酸 、 palladium on activated charcoal 、 氢气 、 铁粉 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 7-methoxy-6-(2-methylpropoxy)-3H-quinazolin-4-one
  参考文献：
  名称：

  Facile and Efficient Oxidation of Quinazolines into Quinazolin-4(3H)-ones by Peracetic Acid

  摘要：

  A new approach to synthesize quinazoline-4(3H)-ones was achieved by oxidation of quinazolines using peracetic acid, which possesses some advantages of economic reagents, simplified operation, high efficiency, and environmental friendliness. Application of this method allowed us to synthesize a series of quinazolin-4(3H)-ones with different substituents at 6 and 7 positions in good to excellent yields, including the key intermediates of tyrosine kinase inhibitors such as PD153035, Erlotinib, and Gefitinib. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.805230

文献信息

• Facile and Efficient Oxidation of Quinazolines into Quinazolin-4(3<i>H</i>)-ones by Peracetic Acid
  作者：Jian-Wen Jin、Lin Zhang、Guang-Rong Meng、Jian-Hua Zhu、Qian Zhang

  DOI：10.1080/00397911.2013.805230

  日期：2014.2

  A new approach to synthesize quinazoline-4(3H)-ones was achieved by oxidation of quinazolines using peracetic acid, which possesses some advantages of economic reagents, simplified operation, high efficiency, and environmental friendliness. Application of this method allowed us to synthesize a series of quinazolin-4(3H)-ones with different substituents at 6 and 7 positions in good to excellent yields, including the key intermediates of tyrosine kinase inhibitors such as PD153035, Erlotinib, and Gefitinib. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]