1-[1-(benzenesulfonyl)-4-phenyl-3,6-dihydro-2H-pyridin-3-yl]-3-(4-methoxyphenyl)urea | 1251736-40-9

• 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-[1-(benzenesulfonyl)-4-phenyl-3,6-dihydro-2H-pyridin-3-yl]-3-(4-methoxyphenyl)urea
• CAS: 1251736-40-9
• 化学式: C₂₅H₂₅N₃O₄S
• 分子量: 463.557
• InChiKey: QOGXZKFKFNWMDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  96.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(benzenesulfonyl)-3-bromo-4-phenyl-3,6-dihydro-2H-pyridine 、 4-甲氧基苯脲 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 2-(二叔丁基膦)联苯 作用下， 以 甲苯 为溶剂， 反应 10.0h， 以41%的产率得到1-[1-(benzenesulfonyl)-4-phenyl-3,6-dihydro-2H-pyridin-3-yl]-3-(4-methoxyphenyl)urea
  参考文献：
  名称：

  Pd2(dba)3-promoted synthesis of 3-N-substituted 4-aryl-1,2,3,6-tetrahydropyridine

  摘要：

  A novel method for the synthesis of 3-N-substituted 4-aryl-1,2,3,6-tetrahydropyridine 3 is presented. The process is carried out by the allylic bromination of 4-aryl-1,2,3,6-tetrahydropyridines 1 with N-bromosuccinimide in propanoic acid and palladium-catalyzed cross coupling of the corresponding bromide 2 with different N-based nucleophiles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.043

文献信息

• Pd2(dba)3-promoted synthesis of 3-N-substituted 4-aryl-1,2,3,6-tetrahydropyridine
  作者：Meng-Yang Chang、Chung-Han Lin、Yeh-Long Chen、Ru-Ting Hsu、Ching-Yao Chang

  DOI：10.1016/j.tetlet.2010.07.043

  日期：2010.9

  A novel method for the synthesis of 3-N-substituted 4-aryl-1,2,3,6-tetrahydropyridine 3 is presented. The process is carried out by the allylic bromination of 4-aryl-1,2,3,6-tetrahydropyridines 1 with N-bromosuccinimide in propanoic acid and palladium-catalyzed cross coupling of the corresponding bromide 2 with different N-based nucleophiles. (C) 2010 Elsevier Ltd. All rights reserved.