2-(N-acetylamino-2-acetoxyethyl)-1-thenoylmethylbenzimidazole | 1241950-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(N-acetylamino-2-acetoxyethyl)-1-thenoylmethylbenzimidazole
• CAS: 1241950-07-1
• 化学式: C₁₉H₁₉N₃O₄S
• 分子量: 385.444
• InChiKey: PFUUSYYFNTYQEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  81.5
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-(2-hydroxyethylamino)-1-thenoylmethylbenzimidazole hydrobromide 、 乙酸酐 在 sodium acetate 作用下， 反应 1.5h， 以88%的产率得到2-(N-acetylamino-2-acetoxyethyl)-1-thenoylmethylbenzimidazole
  参考文献：
  名称：

  Research in the field of imidazo[1,2-a]benzimidazole derivatives: XXVII. 1-acylmethyl-2-(ω-hydroxyalkylamino)-benzimidazoles and their transformation into derivatives of tricyclic systems

  摘要：

  1-Acylmethyl-2-(omega-hydroxyalkylamino)benzimidazoles were synthesized and their behavior under various conditions was investigated: at the thermolysis without solvent, at heating in DMF or in 2-aminoethanol, hydrohalic acids, and acetic anhydride, in the presence of chlorinating agents (SOCl(2), POCl(3)). Depending on the reaction conditions derivatives were obtained of 1H-imidazo[1,2-a]-benzimidazole, 9H-2,3-dihydroimidazo[1,2-a]benzimidazole, and 10H-2,3,4,10-tetrahydropyrimido[1,2-a]-benzimidazole that were suitable synthons for the synthesis of functionally substituted derivatives of these tricyclic systems.

  DOI：

  10.1134/s1070428010020223