2-(4-Fluoro-phenylamino)-2,3,3-trimethyl-butyronitrile | 203123-38-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(4-Fluoro-phenylamino)-2,3,3-trimethyl-butyronitrile
• 英文别名: 2-(4-Fluoroanilino)-2,3,3-trimethylbutanenitrile
• CAS: 203123-38-0
• 化学式: C₁₃H₁₇FN₂
• 分子量: 220.29
• InChiKey: OLXXHWARCIWNRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Fluoro-phenylamino)-2,3,3-trimethyl-butyronitrile 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis of 4-hydroxy-2(1H)-pyridones from azomethines and substituted dialkylmalonates

  摘要：

  The reaction of azomethines 4 with substituted dialkyl malonates 5 leads to the formation of 3-substituted 4-hydroxy-2(1H)-pyridones 6 in moderate yields. The azomethines 4 are prepared via arylaminopropionitriles 3 or in the conventional way by acid catalyzed condensation of ketones 1 with anilines 2. Chlorination of pyridones 6 with sulfuryl chloride leads to compounds 8-10.

  DOI：

  10.1007/bf00806968
• 作为产物：
  描述：

  频哪酮 、 氰化钠 、 4-氟苯胺 以 溶剂黄146 为溶剂， 以89%的产率得到2-(4-Fluoro-phenylamino)-2,3,3-trimethyl-butyronitrile
  参考文献：
  名称：

  Synthesis of 4-hydroxy-2(1H)-pyridones from azomethines and substituted dialkylmalonates

  摘要：

  The reaction of azomethines 4 with substituted dialkyl malonates 5 leads to the formation of 3-substituted 4-hydroxy-2(1H)-pyridones 6 in moderate yields. The azomethines 4 are prepared via arylaminopropionitriles 3 or in the conventional way by acid catalyzed condensation of ketones 1 with anilines 2. Chlorination of pyridones 6 with sulfuryl chloride leads to compounds 8-10.

  DOI：

  10.1007/bf00806968

文献信息

• Synthesis of 4-hydroxy-2(1H)-pyridones from azomethines and substituted dialkylmalonates
  作者：S. Kafka、T. Kappe

  DOI：10.1007/bf00806968

  日期：1997.10

  The reaction of azomethines 4 with substituted dialkyl malonates 5 leads to the formation of 3-substituted 4-hydroxy-2(1H)-pyridones 6 in moderate yields. The azomethines 4 are prepared via arylaminopropionitriles 3 or in the conventional way by acid catalyzed condensation of ketones 1 with anilines 2. Chlorination of pyridones 6 with sulfuryl chloride leads to compounds 8-10.