ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate | 954220-94-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate
• CAS: 954220-94-1
• 化学式: C₁₀H₁₀BrNO₃
• 分子量: 272.098
• InChiKey: HECLHZAXCKFFTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate 在 甲醇 、 硼氘化钠 作用下， 生成 1-(5-bromopyridin-2-yl)propane-1,3,3-d3-1,3-diol
  参考文献：
  名称：

  PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS

  摘要：

  The present invention is directed to pyridine N-oxide derivatives, stereoisomers, isotopologues, isotopomers and pharmaceutically acceptable salts thereof, pharmaceutical compositions containing said compounds and the use of said compounds in the treatment and/or prophylaxis of thromboembolic disorders, inflammatory disorders and diseases or conditions in which plasma kallikrein activity is implicated.

  公开号：

  US20230091768A1
• 作为产物：
  描述：

  5-溴吡啶-2-羧酸甲酯 生成 ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate
  参考文献：
  名称：

  PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS

  摘要：

  The present invention is directed to pyridine N-oxide derivatives, stereoisomers, isotopologues, isotopomers and pharmaceutically acceptable salts thereof, pharmaceutical compositions containing said compounds and the use of said compounds in the treatment and/or prophylaxis of thromboembolic disorders, inflammatory disorders and diseases or conditions in which plasma kallikrein activity is implicated.

  公开号：

  US20230091768A1