2-溴-1-(1-乙基苯并咪唑-2-基)乙酮 | 243668-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-溴-1-(1-乙基苯并咪唑-2-基)乙酮
• 英文名称: 2-Bromo-1-(1-ethyl-1H-benzoimidazol-2-yl)-ethanone
• 英文别名: 2-Bromo-1-(1-ethyl-1H-benzimidazol-2-yl)ethan-1-one；2-bromo-1-(1-ethylbenzimidazol-2-yl)ethanone
• CAS: 243668-27-1
• 化学式: C₁₁H₁₁BrN₂O
• 分子量: 267.125
• InChiKey: FRCLZZBPNOWRGO-UHFFFAOYSA-N

物化性质

• 沸点：
  380.4±44.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴-1-(1-乙基苯并咪唑-2-基)乙酮 、 4-氯苯基硫脲 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以73%的产率得到1-ethyl-2-(2'-p-chlorophenylamino-1,3-thiazol-4-yl)benzimidazole
  参考文献：
  名称：

  Dubey; Naidu; Ravi Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 4, p. 931 - 934

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(1-乙基-1H-苯并咪唑-2-基)乙酮 在 溴 、 溶剂黄146 作用下， 生成 2-溴-1-(1-乙基苯并咪唑-2-基)乙酮
  参考文献：
  名称：

  One‐Pot Synthesis of 2‐(1‐Alkyl/aralkyl‐1H‐benzimidazole‐2‐yl)‐quinoxaline Derivatives using Molecular Iodine

  摘要：

  The title compound (5) has been prepared in one pot by refluxing 1-(1-alkyl/aralkyl-1H-benzimidazole-2-yl)-ethanone (1) with substituted o-phenylenediamine (2) in ethanol in the presence of iodine. Alternatively, 5 could also be prepared by treating 2-bromo-1-(1- alkyl/aralkyl-1H-benzimidazole-2-yl)-ethanone (3A) with 2 in refluxing ethanol. The formation of 5 from 1 and 2 probably occurs through the intermediacy of 3B (i.e., 3, X=I) and 4.

  DOI：

  10.1080/00397910701798135

文献信息

• Ramaiah; Dubey; Ramanatham, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 3, p. 302 - 307
  作者：Ramaiah、Dubey、Ramanatham、Grossert、Hooper

  DOI：——

  日期：——
• Dubey; Kumar, N.D. Mahesh; Chaitanya, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010, vol. 49, # 7, p. 937 - 943
  作者：Dubey、Kumar, N.D. Mahesh、Chaitanya、Naidu、Vineel, B. George

  DOI：——

  日期：——
• One‐Pot Synthesis of 2‐(1‐Alkyl/aralkyl‐1H‐benzimidazole‐2‐yl)‐quinoxaline Derivatives using Molecular Iodine
  作者：P. K. Dubey、P. V. V. Prasada Reddy、K. Srinivas

  DOI：10.1080/00397910701798135

  日期：2008.1.1

  The title compound (5) has been prepared in one pot by refluxing 1-(1-alkyl/aralkyl-1H-benzimidazole-2-yl)-ethanone (1) with substituted o-phenylenediamine (2) in ethanol in the presence of iodine. Alternatively, 5 could also be prepared by treating 2-bromo-1-(1- alkyl/aralkyl-1H-benzimidazole-2-yl)-ethanone (3A) with 2 in refluxing ethanol. The formation of 5 from 1 and 2 probably occurs through the intermediacy of 3B (i.e., 3, X=I) and 4.
• Dubey; Naidu; Ravi Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 4, p. 931 - 934
  作者：Dubey、Naidu、Ravi Kumar

  DOI：——

  日期：——