7-(1-benzyl-1H-indol-3-ylcarbonyl)-2,3,5,6-tetrahydro-7H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine-5-thione | 944908-74-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-(1-benzyl-1H-indol-3-ylcarbonyl)-2,3,5,6-tetrahydro-7H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine-5-thione
• CAS: 944908-74-1
• 化学式: C₂₃H₁₈N₆OS
• 分子量: 426.502
• InChiKey: MXQAMLRGULQKME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  67.45
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7-(1-benzyl-1H-indol-3-ylcarbonyl)-2,3,5,6-tetrahydro-7H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine-5-thione 、 N-(2-氯乙基)吗啉盐酸盐 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以81%的产率得到7-(1-benzyl-1H-indol-3-ylcarbonyl)-5-(2-morpholin-4-ylethylthio)-2,3-dihydro-7H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
  参考文献：
  名称：

  Synthesis of Imidazo[1,2-c]pyrazolo [4,3-e]pyrimidines Derived From Indole and Related Heterocycles

  摘要：

  The syntheses of the title heterocycles were achieved using 5-amino-1-(1-benzyl-1H-indol-3-ylcarbonyl)-1H-pyrazole-4-carbonitrile as starting material. These compounds were converted into the 4-imidazolinyl derivatives which were subjected to cyclization reactions to afford the title compounds.

  DOI：

  10.1007/s00706-006-0519-8
• 作为产物：
  描述：

  5-amino-1-[(1-benzyl-1H-indol-3-yl)carbonyl]-1H-pyrazole-4-carbonitrile 在 二硫化碳 作用下， 以 吡啶 为溶剂， 反应 20.0h， 生成 7-(1-benzyl-1H-indol-3-ylcarbonyl)-2,3,5,6-tetrahydro-7H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine-5-thione
  参考文献：
  名称：

  Synthesis of Imidazo[1,2-c]pyrazolo [4,3-e]pyrimidines Derived From Indole and Related Heterocycles

  摘要：

  The syntheses of the title heterocycles were achieved using 5-amino-1-(1-benzyl-1H-indol-3-ylcarbonyl)-1H-pyrazole-4-carbonitrile as starting material. These compounds were converted into the 4-imidazolinyl derivatives which were subjected to cyclization reactions to afford the title compounds.

  DOI：

  10.1007/s00706-006-0519-8