1-(5-methyl-4H-pyrazol-3-yl)-3-phenylurea

• 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-(5-methyl-4H-pyrazol-3-yl)-3-phenylurea
• 化学式: C₁₁H₁₂N₄O
• 分子量: 216.242
• InChiKey: DRHSEZPLWAYDKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-甲基-2-吡唑啉-5-酮 、 苯基脲 在 三乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 2-(3-(2-(diphenylphosphino)phenyl)-1H-pyrazol-1-yl)-4,6-dimethoxy1,3,5-triazine 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 6.0h， 以85%的产率得到1-(5-methyl-4H-pyrazol-3-yl)-3-phenylurea
  参考文献：
  名称：

  A tandem and tunable Pd catalyzed C–N coupling of heteroarenols with ureas via C–OH bond activation

  摘要：

  At this circumstance for the first time, a facile and convenient method for heteroaryl ureas has been developed via a two-step process involving in situ C-OH activation followed by palladium catalyzed C-N coupling of heteroarenols with ureas, which show excellent functional group tolerance and give out rapid coupling in good to excellent yield. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.10.036

文献信息

• A tandem and tunable Pd catalyzed C–N coupling of heteroarenols with ureas via C–OH bond activation
  作者：Jignesh P. Dalvadi、Poojan K. Patel、Kishor H. Chikhalia

  DOI：10.1016/j.tet.2014.10.036

  日期：2014.12

  At this circumstance for the first time, a facile and convenient method for heteroaryl ureas has been developed via a two-step process involving in situ C-OH activation followed by palladium catalyzed C-N coupling of heteroarenols with ureas, which show excellent functional group tolerance and give out rapid coupling in good to excellent yield. (C) 2014 Elsevier Ltd. All rights reserved.