2-nitro 4'-bromomethyl stilbene | 156871-49-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-nitro 4'-bromomethyl stilbene
• CAS: 156871-49-7
• 化学式: C₁₅H₁₂BrNO₂
• 分子量: 318.17
• InChiKey: HBSFLOFVPUTANE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-nitro 4'-bromomethyl stilbene 、 亚磷酸三乙酯 反应 6.0h， 以11%的产率得到2-nitro 4'-diethoxyphosphonomethyl stilbene
  参考文献：
  名称：

  Synthesis and calcium antagonistic activity of diethyl styrylbenzylphosphonates

  摘要：

  Twenty-three new phosphonic ester derivatives of stilbene exhibiting structural analogies with fostedil are described. Examination of calcium antagonism showed that this activity could not be increased by introducing electron-withdrawing, electron-releasing or lipophilic substituents. Only compounds containing fluorine at the 2 or 4 positions exhibited similar activity to the model.

  DOI：

  10.1016/0223-5234(94)90204-6
• 作为产物：
  描述：

  1-(4-methylstyryl)-2-nitrobenzene 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 6.0h， 以95%的产率得到2-nitro 4'-bromomethyl stilbene
  参考文献：
  名称：

  Synthesis and calcium antagonistic activity of diethyl styrylbenzylphosphonates

  摘要：

  Twenty-three new phosphonic ester derivatives of stilbene exhibiting structural analogies with fostedil are described. Examination of calcium antagonism showed that this activity could not be increased by introducing electron-withdrawing, electron-releasing or lipophilic substituents. Only compounds containing fluorine at the 2 or 4 positions exhibited similar activity to the model.

  DOI：

  10.1016/0223-5234(94)90204-6