3-nitropentan-2-ol

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-nitropentan-2-ol
• 英文别名: (2S,3R)-3-nitropentan-2-ol
• 化学式: C₅H₁₁NO₃
• 分子量: 133.147
• InChiKey: CHOTTWGZEKCPHA-CRCLSJGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙醛 、 硝基丙烷 在 水 、 potassium hydroxide 作用下， 以 neat (no solvent) 为溶剂， 反应 4.0h， 生成 3-nitropentan-2-ol 、 3-nitropentan-2-ol
  参考文献：
  名称：

  Environmentally Friendly Solvent-Free Processes:  Novel Dual Catalyst System in Henry Reaction

  摘要：

  Our environmentally benign synthesis of nitroalcohols involves a simple solvent-free condensation of an appropriate aldehyde with a 1-nitroalkane utilizing a novel dual catalytic system consisting of a mineral base and an appropriate surfactant under homogeneous conditions. By proper choice of the catalyst, base, and/or reaction conditions, the reaction can be performed to a level of >90% conversion as well as selectivity.

  DOI：

  10.1021/op020222c

文献信息

• Environmentally Friendly Solvent-Free Processes:  Novel Dual Catalyst System in Henry Reaction
  作者：Apurba Bhattacharya、Vikram C. Purohit、Frank Rinaldi

  DOI：10.1021/op020222c

  日期：2003.5.1

  Our environmentally benign synthesis of nitroalcohols involves a simple solvent-free condensation of an appropriate aldehyde with a 1-nitroalkane utilizing a novel dual catalytic system consisting of a mineral base and an appropriate surfactant under homogeneous conditions. By proper choice of the catalyst, base, and/or reaction conditions, the reaction can be performed to a level of >90% conversion as well as selectivity.