3-amino-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-2-methyl-3H-quinazolin-4-one | 1418743-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-amino-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-2-methyl-3H-quinazolin-4-one
• 英文别名: Ethyl 4-(3-amino-6-fluoro-2-methyl-4-oxoquinazolin-7-yl)piperazine-1-carboxylate；ethyl 4-(3-amino-6-fluoro-2-methyl-4-oxoquinazolin-7-yl)piperazine-1-carboxylate
• CAS: 1418743-15-3
• 化学式: C₁₆H₂₀FN₅O₃
• 分子量: 349.365
• InChiKey: GZORQCSSYJSSQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-哌嗪甲酸乙酯 、 3-amino-6,7-difluoro-2-methylquinazolin-4(3H)-one 以 二甲基亚砜 为溶剂， 反应 9.0h， 以81%的产率得到3-amino-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-2-methyl-3H-quinazolin-4-one
  参考文献：
  名称：

  Synthesis of 7-cycloalkylimino substituted 3-amino-6-fluoro-2-methyl-3H-quinazolin-4-ones

  摘要：

  A versatile pathway for the synthesis of 7-cycloalkylimino substituted 3-amino-6-fluoro-2-methyl-3H-quinazolin-4-ones from 4,5-difluoroanthranylic acid has been advanced. Nucleophilic amination-defluorination reaction of the 6,7-difluoro derivative of 3-amino-2-methyl-3H-quinazolin-4-one has been established to occur at position 7, as shown by X-ray crystallographic analysis. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.10.003

文献信息

• Synthesis of 7-cycloalkylimino substituted 3-amino-6-fluoro-2-methyl-3H-quinazolin-4-ones
  作者：Emiliya V. Nosova、Galina N. Lipunova、Pavel A. Slepukhin、Valery N. Charushin

  DOI：10.1016/j.jfluchem.2012.10.003

  日期：2013.1

  A versatile pathway for the synthesis of 7-cycloalkylimino substituted 3-amino-6-fluoro-2-methyl-3H-quinazolin-4-ones from 4,5-difluoroanthranylic acid has been advanced. Nucleophilic amination-defluorination reaction of the 6,7-difluoro derivative of 3-amino-2-methyl-3H-quinazolin-4-one has been established to occur at position 7, as shown by X-ray crystallographic analysis. (c) 2012 Elsevier B.V. All rights reserved.