(E)-3,5-dimethyl-2-(2-nitrovinyl)-1H-pyrrole | 1204576-76-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-3,5-dimethyl-2-(2-nitrovinyl)-1H-pyrrole
• CAS: 1204576-76-0
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: NXMUNQZIWWHOAP-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.93
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3,5-二甲基-2-吡咯甲醛 、 硝基甲烷 在 silica supported ethanolamine 作用下， 反应 25.0h， 生成 (E)-3,5-dimethyl-2-(2-nitrovinyl)-1H-pyrrole
  参考文献：
  名称：

  Synthesis of (E)-nitroalkenes Catalysed by Ethanolamine Supported on Silica

  摘要：

  A simple method for preparing (E)-nitroalkenes based on a Henry reaction in the presence of a heterogenized homogeneous catalyst consisting of silica-supported ethanolamine is proposed. With 4-substituted benzaldehydes, the reaction gives the corresponding (E)-nitrostyrenes in high yields and a short time. Heterocyclic carboxaldehydes also give good results, but the presence of an N or S atom in the ring has a slightly adverse effect on the reaction. The synthetic process is quite novel and interesting. The catalyst remains active and exhibits no substantial loss of activity or selectivity over up to three reaction cycles.

  DOI：

  10.1007/s10562-009-0223-5