3,3'-diphenyl-1,1'-[6-(1-phenyl-1H-pyrazole-4-yl)-[1,3,5]-triazin-2,4-diyl]bisurea | 1563186-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,3'-diphenyl-1,1'-[6-(1-phenyl-1H-pyrazole-4-yl)-[1,3,5]-triazin-2,4-diyl]bisurea
• 英文别名: N-[4-[(C-hydroxy-N-phenylcarbonimidoyl)amino]-6-(1-phenylpyrazol-4-yl)-1,3,5-triazin-2-yl]-N'-phenylcarbamimidic acid
• CAS: 1563186-43-5
• 化学式: C₂₆H₂₁N₉O₂
• 分子量: 491.512
• InChiKey: IKSMCPUTORIIPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[4-amino-6-(1-phenyl-1H-pyrazol-4-yl)-[1,3,5]-triazin-2-yl]-3-phenylurea 、 异氰酸苯酯 以 二苯醚 为溶剂， 反应 1.0h， 以58%的产率得到3,3'-diphenyl-1,1'-[6-(1-phenyl-1H-pyrazole-4-yl)-[1,3,5]-triazin-2,4-diyl]bisurea
  参考文献：
  名称：

  Microwave-assisted selective and efficient synthesis of 1,3,5-triazinyl mono and bisureas

  摘要：

  An efficient and sustainable microwave-assisted approach for the one-step preparation of a wide range of 1,3,5-triazinyl mono- and bisureas has been developed, combining solvent-free conditions and microwave irradiation. In these conditions the very unreactive amino groups of 1,3,5-triazine-2,4-diamines successfully react with phenylisocyanate to yield selectively mono and bisureas.This protocol resulted in the shortest reaction times reported so far and is generally applicable for the preparation of these valuable heterocyclic systems. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.01.043