2-bromo-4,5-diethyl-1H-imidazole | 1218910-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-bromo-4,5-diethyl-1H-imidazole
• CAS: 1218910-26-9
• 化学式: C₇H₁₁BrN₂
• 分子量: 203.082
• InChiKey: WXJRAWNXDVFCAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-4,5-diethyl-1H-imidazole 、 3-溴苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-(3-bromophenyl)-4,5-diethyl-1H-imidazole
  参考文献：
  名称：

  Discovery of biaryl inhibitors of H+/K+ ATPase

  摘要：

  We report the identification of a novel biaryl template for H+/K+ ATPase inhibition. Evaluation of critical SAR features within the biaryl imidazole framework and the use of pharmacophore modelling against known imidazopyridine and azaindole templates suggested that the geometry of the molecule is key to achieving activity. Herein we present our work optimising the potency of the molecule through modi. cations and substitutions to each of the ring systems. In particular sub-micromolar potency is achieved with (4b) presumably through a proposed intramolecular hydrogen bond that ensures the required imidazole basic centre is appropriately located. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.040

文献信息

• CONTROLLED HYDROGEN GENERATION, STORAGE AND TRANSPORTATION SOLUTION
  申请人：Silberman Alex

  公开号：US20100021376A1

  公开（公告）日：2010-01-28

  The invention relates to the field of controlled hydrogen generation, hydrogen storage and hydrogen transportation. More specifically, the invention is directed to a solution containing a metal hydride for safe hydrogen generation, storage and transportation, wherein means are provided for preventing spontaneous hydrogen production during storage. In an embodiment of the invention, there is provided a stable metal-hydride solution comprising at least one metal-hydride compound, at least one hydroxide ion providing entity and at least one stabilizer that is different from said hydroxide ion providing entity.