ethyl 2-bromo-5-ethyl-1H-imidazole-4-carboxylate | 444326-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-bromo-5-ethyl-1H-imidazole-4-carboxylate
• CAS: 444326-47-0
• 化学式: C₈H₁₁BrN₂O₂
• 分子量: 247.092
• InChiKey: SLWWUYLCFWHYLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-bromo-5-ethyl-1H-imidazole-4-carboxylate 、 2,4,6-三甲基苯胺 在 silver trifluoromethanesulfonate 作用下， 以 二乙二醇二甲醚 为溶剂， 以81%的产率得到ethyl 4-ethyl-2-(mesitylamino)-1H-imidazole-5-carboxylate
  参考文献：
  名称：

  Design, synthesis and evaluation of constrained tetrahydroimidazopyrimidine derivatives as antagonists of corticotropin-releasing factor type 1 receptor (CRF1R)

  摘要：

  Several tetrahydroimidazopyrimidines were prepared using silver assisted cyclization as the key step. The binding affinities of compounds thus prepared were evaluated in vitro toward hCRF(1)R. Initial lead compound 16 (K-i = 32 nM) demonstrated modest putative anxiolytic effects in the mouse canopy test. Further optimization using parallel synthesis provided compounds with K-i's <50 nM. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.127