1-[4-amino-6-(4-methoxyphenyl)-[1,3,5]-triazin-2-yl]-3-phenylurea | 1563186-33-3

• 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: 1-[4-amino-6-(4-methoxyphenyl)-[1,3,5]-triazin-2-yl]-3-phenylurea
• 英文别名: 1-[4-Amino-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]-3-phenylurea；1-[4-amino-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]-3-phenylurea
• CAS: 1563186-33-3
• 化学式: C₁₇H₁₆N₆O₂
• 分子量: 336.353
• InChiKey: XLCPGNQFIHRWIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[4-amino-6-(4-methoxyphenyl)-[1,3,5]-triazin-2-yl]-3-phenylurea 、 异氰酸苯酯 以 neat (no solvent) 为溶剂， 反应 1.0h， 以83%的产率得到3,3'-diphenyl-1,1'-[6-(4-methoxyphenyl)-[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
• 作为产物：
  描述：

  2,4-二氨基-6-(4-甲氧苯基)-1,3,5-三嗪 、 异氰酸苯酯 以 甲苯 为溶剂， 反应 0.75h， 以80%的产率得到1-[4-amino-6-(4-methoxyphenyl)-[1,3,5]-triazin-2-yl]-3-phenylurea
  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

文献信息

• Microwave-assisted selective and efficient synthesis of 1,3,5-triazinyl mono and bisureas
  作者：Amparo Ruiz-Carretero、José Ramón Ramírez、Ana Sánchez-Migallón、Antonio de la Hoz

  DOI：10.1016/j.tet.2014.01.043

  日期：2014.3

  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.