5-amino-N,1,3-triphenyl-2-selenoxo-2,3-dihydro-1H-imidazole-4-carboselenoamide | 1332566-32-1

• 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-amino-N,1,3-triphenyl-2-selenoxo-2,3-dihydro-1H-imidazole-4-carboselenoamide
• 英文别名: 5-amino-N,1,3-triphenyl-2-selanylideneimidazole-4-carboximidoselenoic acid
• CAS: 1332566-32-1
• 化学式: C₂₂H₁₈N₄Se₂
• 分子量: 496.332
• InChiKey: YVEOYJQZVIXRHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯胺基乙腈 、 phenyl isoselenocyanate 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以51%的产率得到5-amino-N,1,3-triphenyl-2-selenoxo-2,3-dihydro-1H-imidazole-4-carboselenoamide
  参考文献：
  名称：

  Synthesis of 5-amino-2-selenoxo-1,3-imidazole-4-carboselenoamides by the reaction of isoselenocyanates with aminoacetonitriles

  摘要：

  Reaction of isoselenocyanates with aminoacetonitriles afforded 4-amino-2-selenoxo-1,3-imidazole-2-selenones, whereas reaction with aminopropionitriles led to selenoureas. We confirmed that it is easy to distinguish between selenoamides and selenoureas by comparison of their chemical shift differences in the (77)Se NMR spectra. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.06.119

文献信息

• Synthesis of 5-amino-2-selenoxo-1,3-imidazole-4-carboselenoamides by the reaction of isoselenocyanates with aminoacetonitriles
  作者：Nobuhito Tanahashi、Mamoru Koketsu

  DOI：10.1016/j.tetlet.2011.06.119

  日期：2011.9

  Reaction of isoselenocyanates with aminoacetonitriles afforded 4-amino-2-selenoxo-1,3-imidazole-2-selenones, whereas reaction with aminopropionitriles led to selenoureas. We confirmed that it is easy to distinguish between selenoamides and selenoureas by comparison of their chemical shift differences in the (77)Se NMR spectra. (C) 2011 Elsevier Ltd. All rights reserved.