3-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoic acid methyl ester

• 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: 3-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoic acid methyl ester
• 英文别名: methyl 3-(4,6-dichloro-1,3,5-triazin-2-ylamino)benzoate；N-(4,6-Dichlor-1,3,5-triazin-2-yl)-m-methoxycarbonyl-anilin；Methyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoate；methyl 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoate
• 化学式: C₁₁H₈Cl₂N₄O₂
• 分子量: 299.116
• InChiKey: KOFWQGLJFXKJFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoic acid methyl ester 在 氨 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 1.17h， 生成 methyl 3-[4-amino-6-(3,4,5-trimethoxyphenylamino)-1,3,5-triazin-2-ylamino]benzoate
  参考文献：
  名称：

  High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination

  摘要：

  A rapid and efficient Pd-catalyzed aryl and heteroarylamination under microwave irradiation has been developed for various tri-substituted triazines that can serve as versatile building blocks for both supramolecular and medicinal chemistry research. Particularly valuable features of this method included the short reaction time, good yield, and convenient operation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.041
• 作为产物：
  描述：

  3-氨基苯甲酸甲酯 、 三聚氯氰 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoic acid methyl ester
  参考文献：
  名称：

  High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination

  摘要：

  A rapid and efficient Pd-catalyzed aryl and heteroarylamination under microwave irradiation has been developed for various tri-substituted triazines that can serve as versatile building blocks for both supramolecular and medicinal chemistry research. Particularly valuable features of this method included the short reaction time, good yield, and convenient operation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.041

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF HEPATITIS C<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011139513A1

  公开（公告）日：2011-11-10

  The disclosure provides compounds of formula I, including pharmaceutically acceptable salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV. [INSERT CHEMICAL STRUCTURE HERE] I

  该披露提供了公式I的化合物，包括药用可接受的盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒（HCV）具有活性，并可能对感染HCV的人有用。【在此插入化学结构】。
• Compounds for the Treatment of Hepatitis C
  申请人：Wang Tao

  公开号：US20120093767A1

  公开（公告）日：2012-04-19

  The disclosure provides compounds of formula I, including pharmaceutically acceptable salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  该披露提供了I式化合物，包括药用可接受的盐，以及使用该化合物的组合物和方法。该化合物具有对丙型肝炎病毒（HCV）的活性，并可用于治疗HCV感染者。
• COMPOUNDS FOR THE TREATMENT OF HEPATITIS C
  申请人：Bristol-Myers Squibb Company

  公开号：EP2566872B1

  公开（公告）日：2014-12-24
• US8741884B2
  申请人：——

  公开号：US8741884B2

  公开（公告）日：2014-06-03
• High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination
  作者：Pascal Dao、Christiane Garbay、Huixiong Chen

  DOI：10.1016/j.tet.2012.03.041

  日期：2012.5

  A rapid and efficient Pd-catalyzed aryl and heteroarylamination under microwave irradiation has been developed for various tri-substituted triazines that can serve as versatile building blocks for both supramolecular and medicinal chemistry research. Particularly valuable features of this method included the short reaction time, good yield, and convenient operation. (C) 2012 Elsevier Ltd. All rights reserved.