4-methyl-2-((phenylimino)methyleneamino)benzonitrile | 1312711-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl-2-((phenylimino)methyleneamino)benzonitrile
• CAS: 1312711-90-2
• 化学式: C₁₅H₁₁N₃
• 分子量: 233.272
• InChiKey: NCJKVJPRCBKTFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-2-((phenylimino)methyleneamino)benzonitrile 在 碘代三甲硅烷 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以77%的产率得到2-chloro-7-methyl-3-phenylquinazolin-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
• 作为产物：
  描述：

  2-氨基-4-甲基苯甲腈 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.0h， 生成 4-methyl-2-((phenylimino)methyleneamino)benzonitrile
  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.