5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-one | 1401545-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-one
• 英文别名: 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-one
• CAS: 1401545-07-0
• 化学式: C₁₈H₁₆N₆OS
• 分子量: 364.431
• InChiKey: IXYXZSLAYVAZOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异硫氢酸三甲基硅酯 、 以 neat (no solvent) 为溶剂， 反应 2.0h， 以25%的产率得到5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-one
  参考文献：
  名称：

  A facile and rapid route for the synthesis of novel 1,5-substituted tetrazole hydantoins and thiohydantoins via a TMSN3-Ugi/RNCX cyclization

  摘要：

  This Letter describes novel methodology for the rapid assembly of new and biologically appealing 1,5-substituted tetrazole-hydantoins and thiohydantoins. The product of a TMSN3-Ugi multi-component reaction is treated with an excess of isocyanate or isothiocyanate to generate the final scaffold in moderate to good yields. The applicability of this solution phase methodology to the preparation of a small collection of compounds is discussed. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.07.135