1-phenyl-3-(thieno[2,3-d]pyrimidin-4-yl)urea

• 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-phenyl-3-(thieno[2,3-d]pyrimidin-4-yl)urea
• 英文别名: 1-Phenyl-3-thieno[2,3-d]pyrimidin-4-ylurea；1-phenyl-3-thieno[2,3-d]pyrimidin-4-ylurea
• 化学式: C₁₃H₁₀N₄OS
• 分子量: 270.315
• InChiKey: XCWZNZFQPISTOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯基脲 、 噻吩并[2,3-d]嘧啶-4(3H)-酮 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91%的产率得到1-phenyl-3-(thieno[2,3-d]pyrimidin-4-yl)urea
  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.