4,5-dibenzyl-1-methyl-2-(phenylthio)-1H-imidazole | 1202223-11-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-dibenzyl-1-methyl-2-(phenylthio)-1H-imidazole
• 英文别名: 4,5-Dibenzyl-1-methyl-2-phenylsulfanylimidazole
• CAS: 1202223-11-7
• 化学式: C₂₄H₂₂N₂S
• 分子量: 370.518
• InChiKey: PIQVUHASSSALSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(1,4-diphenylbut-3-yn-2-yl)-N-methylcyanamide 、 苯硫酚 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以94%的产率得到4,5-dibenzyl-1-methyl-2-(phenylthio)-1H-imidazole
  参考文献：
  名称：

  Synthesis of 2-Thio- and 2-Oxoimidazoles via Cascade Addition−Cycloisomerization Reactions of Propargylcyanamides

  摘要：

  A methodology to generate 2-thio- and 2-oxoimidazoles through an addition-cyclization-isomerization reaction of propargylcyanamides with thiol and alcohol nucleophiles is described. In general, the reaction sequence allows for the rapid formation of highly substituted 2-thio- and 2-oxoimidazoles in good to excellent yields.

  DOI：

  10.1021/jo902326d

文献信息

• Synthesis of 2-Thio- and 2-Oxoimidazoles via Cascade Addition−Cycloisomerization Reactions of Propargylcyanamides
  作者：Robert L. Giles、Richard A. Nkansah、Ryan E. Looper

  DOI：10.1021/jo902326d

  日期：2010.1.1

  A methodology to generate 2-thio- and 2-oxoimidazoles through an addition-cyclization-isomerization reaction of propargylcyanamides with thiol and alcohol nucleophiles is described. In general, the reaction sequence allows for the rapid formation of highly substituted 2-thio- and 2-oxoimidazoles in good to excellent yields.