2-chloro-3-(4-(ethoxycarbonyl)phenyl)quinazolin-4(3H)-iminium chloride | 1312711-95-7

• 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-chloro-3-(4-(ethoxycarbonyl)phenyl)quinazolin-4(3H)-iminium chloride
• 英文别名: Ethyl 4-(2-chloro-4-iminoquinazolin-3-yl)benzoate;hydrochloride
• CAS: 1312711-95-7
• 化学式: C₁₇H₁₄ClN₃O₂*ClH
• 分子量: 364.231
• InChiKey: WIJVGYCPKHDKOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 4-((2-cyanophenylimino)methyleneamino)benzoate 在 碘代三甲硅烷 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以72%的产率得到2-chloro-3-(4-(ethoxycarbonyl)phenyl)quinazolin-4(3H)-iminium chloride
  参考文献：
  名称：

  An Easy Entry into 2-Halo-3-aryl-4(3H)-quinazoliniminium Halides from Heteroenyne-allenes

  摘要：

  An efficient three-step synthesis of 2-halo-3-aryl-4(3H)-quinazoliniminium halides from commercially available materials is described. Upon reaction with hydrogen halides, generated in situ from a Lewis acid (MX) and trace water, a variety of easily accessible heteroenyne-allenes underwent facile intramolecular cyclization to afford the title compounds in good yields. The method is highly versatile and provides a general way to construct quinazoliniminium ring systems with a variety of different substitutions.

  DOI：

  10.1021/ol201372n

文献信息

• An Easy Entry into 2-Halo-3-aryl-4(3<i>H</i>)-quinazoliniminium Halides from Heteroenyne-allenes
  作者：Vijaya Kumar Naganaboina、Kusum Lata Chandra、John Desper、Sundeep Rayat

  DOI：10.1021/ol201372n

  日期：2011.7.15

  An efficient three-step synthesis of 2-halo-3-aryl-4(3H)-quinazoliniminium halides from commercially available materials is described. Upon reaction with hydrogen halides, generated in situ from a Lewis acid (MX) and trace water, a variety of easily accessible heteroenyne-allenes underwent facile intramolecular cyclization to afford the title compounds in good yields. The method is highly versatile and provides a general way to construct quinazoliniminium ring systems with a variety of different substitutions.