N,N-二甲基-2-(4-硝基苯基)喹唑啉-4-胺 | 180906-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: N,N-二甲基-2-(4-硝基苯基)喹唑啉-4-胺
• 英文名称: N,N-Dimethyl-2-(4-nitrophenyl)quinazolin-4-amine
• 英文别名: N,N-dimethyl-2-(4-nitrophenyl)quinazolin-4-amine
• CAS: 180906-19-8
• 化学式: C₁₆H₁₄N₄O₂
• 分子量: 294.313
• InChiKey: JFXYUEPTUNVFKQ-UHFFFAOYSA-N

物化性质

• 熔点：
  154-155 °C(Solv: acetone (67-64-1))
• 沸点：
  380.1±34.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-硝基苯甲酰替苯胺 在 五氯化磷 、 四氯化钛 作用下， 以 苯 为溶剂， 反应 27.0h， 生成 N,N-二甲基-2-(4-硝基苯基)喹唑啉-4-胺
  参考文献：
  名称：

  Synthesis and Basicity of 4-(N,N-Dimethylamino)-2-arylquinazolines

  摘要：

  The reaction of substituted N-phenylbenzimidoyl chlorides with N,N-dimethylcynanamide in the presence of titanium tetrachloride has yielded seven 4-(N,N-dimethylamino)-2-arylquinazolines substituted on the phenyl ring with electron donating or withdrawing groups. pKa values have been determined for these compounds and analyzed in conjunction with the Hammett sigma constants to observe the influence of these phenyl substituents upon the basicity of 4-(N,N-dimethylamino)-2-arylquinazolines. The rho value, single crystal X-ray analysis and N-15-nmr spectra give evidence about the preferential site of protonation in such systems.

  DOI：

  10.3987/com-96-7416

文献信息

• Synthesis and Basicity of 4-(N,N-Dimethylamino)-2-arylquinazolines
  作者：Wojciech Zielinski、Agnieszka Kudelko、Elizabeth M. Holt

  DOI：10.3987/com-96-7416

  日期：——

  The reaction of substituted N-phenylbenzimidoyl chlorides with N,N-dimethylcynanamide in the presence of titanium tetrachloride has yielded seven 4-(N,N-dimethylamino)-2-arylquinazolines substituted on the phenyl ring with electron donating or withdrawing groups. pKa values have been determined for these compounds and analyzed in conjunction with the Hammett sigma constants to observe the influence of these phenyl substituents upon the basicity of 4-(N,N-dimethylamino)-2-arylquinazolines. The rho value, single crystal X-ray analysis and N-15-nmr spectra give evidence about the preferential site of protonation in such systems.