3-amino-2-benzoyl-4-(benzo[d]imidazol-2-yl)-5-(benzoylmethylsulfanyl)thiophene | 916992-15-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-amino-2-benzoyl-4-(benzo[d]imidazol-2-yl)-5-(benzoylmethylsulfanyl)thiophene
• CAS: 916992-15-9
• 化学式: C₂₆H₁₉N₃O₂S₂
• 分子量: 469.588
• InChiKey: SBJFYFKDJYIVTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.08
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  88.84
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-amino-2-benzoyl-4-(benzo[d]imidazol-2-yl)-5-(benzoylmethylsulfanyl)thiophene 在 一水合肼 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 11.0h， 生成 5-amino-3-(1H-benzimidazol-2-yl)-2-hydrazinyl-7-phenylthieno[3,2-b]pyridine-6-carbonitrile
  参考文献：
  名称：

  A One-Pot Synthesis of Thiophenes and Their Annulated Derivatives With Potential Pharmaceutical Interest

  摘要：

  The reaction of 2-cyanomethylene benzo[d]imidazole (1) with carbon disulphide in basic DMF solution gave the di-potassium disulphide salt (3). The reaction of the latter with the alpha-halocarbonyl compounds 4 and 13 afforded the thiophene derivatives 5 and 14, respectively. The latter products were used to synthesize annulated products with potential pharmaceutical interest.

  DOI：

  10.1080/10426500600605749
• 作为产物：
  描述：

  二硫化碳 、 2-氰甲基苯并咪唑 、 2-溴苯乙酮 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到3-amino-2-benzoyl-4-(benzo[d]imidazol-2-yl)-5-(benzoylmethylsulfanyl)thiophene
  参考文献：
  名称：

  A One-Pot Synthesis of Thiophenes and Their Annulated Derivatives With Potential Pharmaceutical Interest

  摘要：

  The reaction of 2-cyanomethylene benzo[d]imidazole (1) with carbon disulphide in basic DMF solution gave the di-potassium disulphide salt (3). The reaction of the latter with the alpha-halocarbonyl compounds 4 and 13 afforded the thiophene derivatives 5 and 14, respectively. The latter products were used to synthesize annulated products with potential pharmaceutical interest.

  DOI：

  10.1080/10426500600605749