2-(3-氯苯胺基)吡啶-4-甲腈 | 1019463-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3-氯苯胺基)吡啶-4-甲腈
• 英文名称: 2-((3-chlorophenyl)amino)isonicotinonitrile
• 英文别名: 2-(3-chlorophenylamino)isonicotinonitrile；2-(3-chloroanilino)pyridine-4-carbonitrile
• CAS: 1019463-88-7
• 化学式: C₁₂H₈ClN₃
• mdl: MFCD11127248
• 分子量: 229.669
• InChiKey: WGLBAPWXMAYHGP-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

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  2-氯-4-氰基吡啶 、 3-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87%的产率得到2-(3-氯苯胺基)吡啶-4-甲腈
  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

• [EN] DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS<br/>[FR] QUINOLONES SUBSTITUÉES PAR DIARYLAMINE UTILES COMME INHIBITEURS DE L'OXYDE NITRIQUE SYNTHASE INDUCTIBLE.
  申请人：KALYPSYS INC

  公开号：WO2009029617A1

  公开（公告）日：2009-03-05

  Novel diarylamine-substituted quinolone compounds and pharmaceutical compositions, certain of which have been found to inhibit inducible NOS synthase have been discovered, together with methods of synthesizing and using the compounds including methods for the treatment of iNOS-mediated diseases in a patient by administering the compounds.

  已发现新的含有二芳胺基取代喹诺酮化合物和药物组合物，其中一些已被发现能抑制诱导型NOS合成酶，还包括合成和使用这些化合物的方法，包括通过给患者施用这些化合物治疗iNOS介导的疾病的方法。
• 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.