3-amino-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbothioamide | 1430053-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-amino-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbothioamide
• CAS: 1430053-46-5
• 化学式: C₁₃H₁₄N₄S
• 分子量: 258.347
• InChiKey: BSQASMNDRFVHKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  88
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbothioamide 、 原甲酸三乙酯 反应 4.0h， 以73%的产率得到3-phenyl-7,8-dihydro-6H-purino[9,8-a]pyrrole-4-thione
  参考文献：
  名称：

  Application of the Recyclization Products of 5-Alkyl(aryl)amino-2-(3-phthalimidopropyl)-1,3-oxazole-4-carbonitriles to the Synthesis of Condensed Tricyclic Nitrogenous Structures

  摘要：

  N-Alkyl(aryl)-3-amino-5H,6H,7H-pyrrolo[1,2-a]imidazole-2-carboxamides were obtained by the interaction of 5-alkyl(aryl)amino-2-(3-phthalimidopropyl)-1,3-oxazole-4-carbonitriles with hydrazine hydrate and have been used for the synthesis of substituted 3H,4H,6H,7H,8H-pyrrolo[2,1-h]purin-4-ones, their thione analogs, and also 1,2,3,6,7,8-hexahydro-4H-pyrrolo[2',1':2,3]imidazo[4,5-d]-[1,3,2]diazaphosphinine derivatives.

  DOI：

  10.1007/s10593-013-1216-2
• 作为产物：
  描述：

  5-Anilino-2-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,3-oxazole-4-carbonitrile 在 吡啶 、 tetraphosphorus decasulfide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 3-amino-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbothioamide
  参考文献：
  名称：

  Application of the Recyclization Products of 5-Alkyl(aryl)amino-2-(3-phthalimidopropyl)-1,3-oxazole-4-carbonitriles to the Synthesis of Condensed Tricyclic Nitrogenous Structures

  摘要：

  N-Alkyl(aryl)-3-amino-5H,6H,7H-pyrrolo[1,2-a]imidazole-2-carboxamides were obtained by the interaction of 5-alkyl(aryl)amino-2-(3-phthalimidopropyl)-1,3-oxazole-4-carbonitriles with hydrazine hydrate and have been used for the synthesis of substituted 3H,4H,6H,7H,8H-pyrrolo[2,1-h]purin-4-ones, their thione analogs, and also 1,2,3,6,7,8-hexahydro-4H-pyrrolo[2',1':2,3]imidazo[4,5-d]-[1,3,2]diazaphosphinine derivatives.

  DOI：

  10.1007/s10593-013-1216-2