methyl 2-(4-methylamino-6-chloro-1,3,5-triazin-2-ylamino)benzoate | 1374227-28-7

• 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: methyl 2-(4-methylamino-6-chloro-1,3,5-triazin-2-ylamino)benzoate
• CAS: 1374227-28-7
• 化学式: C₁₂H₁₂ClN₅O₂
• 分子量: 293.713
• InChiKey: IXALFBVNYVJKHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  89.03
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-methylamino-6-chloro-1,3,5-triazin-2-ylamino)benzoate 、 3,4,5-三甲氧基苯胺 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 0.17h， 以74.8%的产率得到methyl 2-(4-methylamino-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：

  邻氨基苯甲酸甲酯 在 氨 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 methyl 2-(4-methylamino-6-chloro-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