[2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-phenyl]-carbamic acid benzyl ester | 1160815-63-3

• 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-(4-oxo-3,4-dihydro-quinazolin-2-yl)-phenyl]-carbamic acid benzyl ester
• CAS: 1160815-63-3
• 化学式: C₂₂H₁₇N₃O₃
• 分子量: 371.395
• InChiKey: HGNARGAMVPKCAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.08
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-phenyl]-carbamic acid benzyl ester 在 5%-palladium/activated carbon 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 4.5h， 以99%的产率得到2-(2-aminophenyl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Efficient synthesis and fluorescence properties of highly functionalized 2-aryl-quinazolin-4(3H)-ones

  摘要：

  Three different methodologies for the preparation of highly substituted 2-aryl-quinazolin-4(3H)-ones including short and high-yielding reaction sequences are described. The 2-aryl-substituent of most of the target compounds bears three functional groups. The fluorescence properties of these compounds are presented and potential correlations between structure and optical properties are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.139
• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以195 mg的产率得到[2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-phenyl]-carbamic acid benzyl ester
  参考文献：
  名称：

  Efficient synthesis and fluorescence properties of highly functionalized 2-aryl-quinazolin-4(3H)-ones

  摘要：

  Three different methodologies for the preparation of highly substituted 2-aryl-quinazolin-4(3H)-ones including short and high-yielding reaction sequences are described. The 2-aryl-substituent of most of the target compounds bears three functional groups. The fluorescence properties of these compounds are presented and potential correlations between structure and optical properties are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.139