2-((4-chlorophenyl)amino)isonicotinonitrile | 1019349-20-2

• 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: 2-((4-chlorophenyl)amino)isonicotinonitrile
• 英文别名: 2-(4-Chloroanilino)pyridine-4-carbonitrile
• CAS: 1019349-20-2
• 化学式: C₁₂H₈ClN₃
• mdl: MFCD11127250
• 分子量: 229.669
• InChiKey: OERSJOVLYIYEGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯-4-氰基吡啶 、 对氯苯胺 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以70%的产率得到2-((4-chlorophenyl)amino)isonicotinonitrile
  参考文献：
  名称：

  Efficient synthesis of 2-arylamino substituted pyridinyl nitriles by Buchwald–Hartwig amination

  摘要：

  Both nitrile and arylamino groups containing pyridine derivatives are synthesized from commercially available nitrile substituted pyridyl chlorides via a palladium-BINAP catalyst (the second generation catalyst for the amination) in moderate to good yields. The mild conditions permit the presence of base sensitive functional groups. Noteably, the halogen atoms linked to the aromatic ring were maintained in the structures of the products under the amination reaction conditions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.085

文献信息

• Efficient synthesis of 2-arylamino substituted pyridinyl nitriles by Buchwald–Hartwig amination
  作者：Shuo Guo、Yaping Wang、Chunxia Sun、Jingya Li、Dapeng Zou、Yangjie Wu、Yusheng Wu

  DOI：10.1016/j.tetlet.2013.03.085

  日期：2013.6

  Both nitrile and arylamino groups containing pyridine derivatives are synthesized from commercially available nitrile substituted pyridyl chlorides via a palladium-BINAP catalyst (the second generation catalyst for the amination) in moderate to good yields. The mild conditions permit the presence of base sensitive functional groups. Noteably, the halogen atoms linked to the aromatic ring were maintained in the structures of the products under the amination reaction conditions. (C) 2013 Elsevier Ltd. All rights reserved.