2-(tert-butyl)-9-(2-bromopropyl)imidazo[1,2-a]benzimidazole hydrobromide | 1338381-58-0

• 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-(tert-butyl)-9-(2-bromopropyl)imidazo[1,2-a]benzimidazole hydrobromide
• 英文别名: 2-t-Butyl-9-(2-bromopropyl)imidazo[1,2-a]-benzimidazole hydrobromide；4-(2-bromopropyl)-2-tert-butylimidazo[1,2-a]benzimidazole;hydrobromide
• CAS: 1338381-58-0
• 化学式: BrH*C₁₆H₂₀BrN₃
• 分子量: 415.171
• InChiKey: WUOXZEHYUBNFRG-UHFFFAOYSA-N

物化性质

• 熔点：
  233-234 °C(Solvent: Ethanol)

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  22.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(tert-butyl)-9-(2-bromopropyl)imidazo[1,2-a]benzimidazole hydrobromide 在 盐酸 作用下， 以 异丙醇 、 丙酮 为溶剂， 生成 2-(tert-butyl)-9-(2-morpholinopropyl)imidazo[1,2-a]benzimidazole dihydrochloride
  参考文献：
  名称：

  Imidazo[1,2-a]benzimidazole derivatives: XXIX. 1-allyl-2-amino-3-acylmethylbenzimidazolium halides and syntheses on their base

  摘要：

  Cyclization of 1-allyl-2-amino-3-acylmethylbenzimidazolium halides under alkaline conditions gave 9-allyl-substituted imidazo[1,2-a]benzimidazoles. Cyclization of the same compounds on heating in concentrated hydrobromic acid was accompanied by addition of hydrogen bromide at the exocyclic double bond. Competing cyclizations with participation of the 1-(2-bromopropyl) and 3-acylmethyl substituents in 2-imino-2,3-dihydro-1H-benzimidazole were studied. Functionalization of the imidazo[1,2-a]benzimidazole system was performed via introduction of substituents into the 3-position and replacement of bromine in the 2-bromopropyl group in the 9-position.

  DOI：

  10.1134/s1070428011090168
• 作为产物：
  描述：

  1-allyl-1H-benzimidazol-2-amine 在 氢溴酸 作用下， 以 水 、 丙酮 为溶剂， 生成 2-(tert-butyl)-9-(2-bromopropyl)imidazo[1,2-a]benzimidazole hydrobromide
  参考文献：
  名称：

  Imidazo[1,2-a]benzimidazole derivatives: XXIX. 1-allyl-2-amino-3-acylmethylbenzimidazolium halides and syntheses on their base

  摘要：

  Cyclization of 1-allyl-2-amino-3-acylmethylbenzimidazolium halides under alkaline conditions gave 9-allyl-substituted imidazo[1,2-a]benzimidazoles. Cyclization of the same compounds on heating in concentrated hydrobromic acid was accompanied by addition of hydrogen bromide at the exocyclic double bond. Competing cyclizations with participation of the 1-(2-bromopropyl) and 3-acylmethyl substituents in 2-imino-2,3-dihydro-1H-benzimidazole were studied. Functionalization of the imidazo[1,2-a]benzimidazole system was performed via introduction of substituents into the 3-position and replacement of bromine in the 2-bromopropyl group in the 9-position.

  DOI：

  10.1134/s1070428011090168