6-amino-2-chloro-5-fluoronicotinonitrile | 1448776-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-amino-2-chloro-5-fluoronicotinonitrile
• 英文别名: 6-Amino-2-chloro-5-fluoronicotinonitrile；6-amino-2-chloro-5-fluoropyridine-3-carbonitrile
• CAS: 1448776-04-2
• 化学式: C₆H₃ClFN₃
• 分子量: 171.561
• InChiKey: AIJNOCYLVBYQPU-UHFFFAOYSA-N

物化性质

• 沸点：
  313.4±42.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-amino-2-chloro-5-fluoronicotinonitrile 在 三乙基硅烷 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 6-amino-5-fluoronicotinonitrile
  参考文献：
  名称：

  Expanding the scope of silane-mediated hydrodehalogenation reactions

  摘要：

  A palladium-catalysed, silane-mediated hydrodehalogenation (HDH) reaction with increased substrate scope has been developed. Whereas previous attempts to reduce carboxylic acid or phenol-containing aryl halides using silane-based HDH conditions failed, the current protocol allows efficient access to the reduced products. Chemoselective HDH in the presence of sensitive functional groups is also presented. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.063
• 作为产物：
  描述：

  3-氰基-2,6-二氯-5-氟吡啶 在 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以59%的产率得到6-amino-2-chloro-5-fluoronicotinonitrile
  参考文献：
  名称：

  [EN] TROPOMYOSIN-RELATED KINASE INHIBITORS CONTAINING BOTH A 1H-PYRAZOLE AND A PYRIMIDINE MOIETY
  [FR] INHIBITEURS DE KINASES APPARENTÉES À LA TROPOMYOSINE CONTENANT À LA FOIS UN 1H-PYRAZOLE ET UN FRAGMENT PYRIMIDINE

  摘要：

  本发明涉及式（I）化合物及其前药和药用可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为TrkA拮抗剂。

  公开号：

  WO2015159175A1

文献信息

• [EN] INDOLES FOR USE IN INFLUENZA VIRUS INFECTION<br/>[FR] INDOLES POUVANT ÊTRE UTILISÉS DANS L'INFECTION PAR LE VIRUS INFLUENZA
  申请人：JANSSEN SCIENCES IRELAND UC

  公开号：WO2016020526A1

  公开（公告）日：2016-02-11

  The invention relates to compounds having the structure of formula (I) which can be used for the treatment of or against influenza infections.

  这项发明涉及具有式（I）结构的化合物，可用于治疗或预防流感感染。
• TROPOMYOSIN-RELATED KINASE INHIBITORS CONTAINING BOTH A 1H-PYRAZOLE AND A PYRIMIDINE MOIETY
  申请人：Pfizer Inc.

  公开号：EP3131891A1

  公开（公告）日：2017-02-22
• Tropomyosin-Related Kinase Inhibitors Containing Both A 1H-Pyrazole And A Pyrimidine Moiety
  申请人：PFIZER INC.

  公开号：US20170197939A1

  公开（公告）日：2017-07-13

  The present invention relates to compounds of Formula I and their prodrugs and pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as TrkA antagonists.
• [EN] INHIBITORS OF INFLUENZA VIRUSES REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE LA GRIPPE
  申请人：VERTEX PHARMA

  公开号：WO2012083122A1

  公开（公告）日：2012-06-21

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.
• Expanding the scope of silane-mediated hydrodehalogenation reactions
  作者：Gary M. Noonan、Barry R. Hayter、Andrew D. Campbell、Timothy W. Gorman、Benjamin E. Partridge、Gill M. Lamont

  DOI：10.1016/j.tetlet.2013.06.063

  日期：2013.8

  A palladium-catalysed, silane-mediated hydrodehalogenation (HDH) reaction with increased substrate scope has been developed. Whereas previous attempts to reduce carboxylic acid or phenol-containing aryl halides using silane-based HDH conditions failed, the current protocol allows efficient access to the reduced products. Chemoselective HDH in the presence of sensitive functional groups is also presented. (c) 2013 Elsevier Ltd. All rights reserved.