N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)-2-(oxetan-3-yl)quinazolin-4-amine | 1180654-05-0

• 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: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)-2-(oxetan-3-yl)quinazolin-4-amine
• 英文别名: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-2-(oxetan-3-yl)quinazolin-4-amine
• CAS: 1180654-05-0
• 化学式: C₂₅H₂₈ClFN₄O₄
• 分子量: 502.973
• InChiKey: FJVNPBRXSMUTPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-碘氧杂环丁烷 、 吉非替尼 在 ferrous(II) sulfate heptahydrate 、 硫酸 、 双氧水 作用下， 以 水 、 二甲基亚砜 为溶剂， 以13%的产率得到N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)-2-(oxetan-3-yl)quinazolin-4-amine
  参考文献：
  名称：

  Preparation of Heteroaryloxetanes and Heteroarylazetidines by Use of a Minisci Reaction

  摘要：

  Introduction of oxetan-3-yl and azetidin-3-yl groups into heteroaromatic bases was achieved by using a radical addition method (Minisci reaction). To demonstrate utility. the process was used to introduce an oxetane Or azetidine into heteroaromatic systems that have found important uses in the drug discovery industry, such as the marketed EGFR inhibitor geftinib, a quinolinecarbonitrile Src tyrosine kinase inhibitor, and the antimalarial hydroquinine.

  DOI：

  10.1021/jo9010624

文献信息

• Preparation of Heteroaryloxetanes and Heteroarylazetidines by Use of a Minisci Reaction
  作者：Matthew A. J. Duncton、M. Angels Estiarte、Russell J. Johnson、Matthew Cox、Donogh J. R. O’Mahony、William T. Edwards、Michael G. Kelly

  DOI：10.1021/jo9010624

  日期：2009.8.21

  Introduction of oxetan-3-yl and azetidin-3-yl groups into heteroaromatic bases was achieved by using a radical addition method (Minisci reaction). To demonstrate utility. the process was used to introduce an oxetane Or azetidine into heteroaromatic systems that have found important uses in the drug discovery industry, such as the marketed EGFR inhibitor geftinib, a quinolinecarbonitrile Src tyrosine kinase inhibitor, and the antimalarial hydroquinine.