ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate | 916992-20-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate
• CAS: 916992-20-6
• 化学式: C₃₁H₂₄N₄O₃S₂
• 分子量: 564.689
• InChiKey: OHYJGMOGABUKDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate 在 一水合肼 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以83%的产率得到ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-hydrazinyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate
  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：

  2-氰甲基苯并咪唑 在 氢氧化钾 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate
  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

文献信息

• A One-Pot Synthesis of Thiophenes and Their Annulated Derivatives With Potential Pharmaceutical Interest
  作者：Wagnat Wahba Wardakhan

  DOI：10.1080/10426500600605749

  日期：2006.9.1

  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.