2,6-dicyano-3-(3-methoxyphenyl)-5-methylaniline | 1234872-99-1

• 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: 2,6-dicyano-3-(3-methoxyphenyl)-5-methylaniline
• 英文别名: 2-amino-4-(3-methoxyphenyl)-6-methylbenzene-1,3-dicarbonitrile
• CAS: 1234872-99-1
• 化学式: C₁₆H₁₃N₃O
• 分子量: 263.299
• InChiKey: ISSXBBHTZNWGFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-methoxy-3-(2-nitro-vinyl)-benzene 、 丙二腈 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以75%的产率得到2,6-dicyano-3-(3-methoxyphenyl)-5-methylaniline
  参考文献：
  名称：

  A Novel Synthesis of 3-Aryl-2,6-dicyano-5-methylanilines via Reaction between Nitrostyrenes and Malononitrile

  摘要：

  A novel and simple synthesis of 3-aryl-2,6-dicyano-5-methylanilines is described. Reactions between nitrostyrenes and excess malononitrile in the presence of sodium carbonate in 80% ethanol proceeded at room temperature to afford the aromatic products in good yields. A mechanism for the formation of the products is proposed.

  DOI：

  10.1055/s-0029-1218717

文献信息

• A Novel Synthesis of 3-Aryl-2,6-dicyano-5-methylanilines via Reaction between Nitrostyrenes and Malononitrile
  作者：Mehdi Adib、Bagher Mohammadi、Samira Ansari、Hamid Bijanzadeh、Long-Guan Zhu

  DOI：10.1055/s-0029-1218717

  日期：2010.5

  A novel and simple synthesis of 3-aryl-2,6-dicyano-5-methylanilines is described. Reactions between nitrostyrenes and excess malononitrile in the presence of sodium carbonate in 80% ethanol proceeded at room temperature to afford the aromatic products in good yields. A mechanism for the formation of the products is proposed.