2-ethoxy-4,5-dimethoxybenzonitrile | 1400503-25-4

• 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-ethoxy-4,5-dimethoxybenzonitrile
• 英文别名: 2-Ethoxy-4,5-dimethoxybenzonitrile
• CAS: 1400503-25-4
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: JQPNKMIEAHBNMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苄腈 、 乙醇 在 sodium persulfate 、 palladium diacetate 作用下， 反应 24.0h， 以59%的产率得到2-ethoxy-4,5-dimethoxybenzonitrile
  参考文献：
  名称：

  Pd(OAc)₂-Catalyzed Alkoxylation of Arylnitriles via sp² C–H Bond Activation Using Cyano as the Directing Group

  摘要：

  A Pd(OAc)(2)-catalyzed ortho-alkoxylation of arylnitrile was described. Using cyano as a directing group, the aromatic C-H bond can be functionalized efficiently to generate ortho-alkoxylated arylnitrile derivatives with moderate yields. The optimal reaction conditions were identified after examining various factors such as oxidant, solvent, and reaction temperature. The method was compatible to the arylnitriles with either electron-withdrawing or electron-donating groups.

  DOI：

  10.1021/jo301384r

文献信息

• Pd(OAc)₂-Catalyzed Alkoxylation of Arylnitriles via sp² C–H Bond Activation Using Cyano as the Directing Group
  作者：Wu Li、Peipei Sun

  DOI：10.1021/jo301384r

  日期：2012.9.21

  A Pd(OAc)(2)-catalyzed ortho-alkoxylation of arylnitrile was described. Using cyano as a directing group, the aromatic C-H bond can be functionalized efficiently to generate ortho-alkoxylated arylnitrile derivatives with moderate yields. The optimal reaction conditions were identified after examining various factors such as oxidant, solvent, and reaction temperature. The method was compatible to the arylnitriles with either electron-withdrawing or electron-donating groups.