1,4-Bis[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine | 1402410-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1,4-Bis[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine
• 英文别名: 1,4-bis[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine
• CAS: 1402410-49-4
• 化学式: C₂₀H₁₈F₄N₂O₄
• 分子量: 426.368
• InChiKey: DWEKQIKYWOECOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  哌嗪 、 2,2-二氟-1,3-苯并二恶茂-5-甲醛 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 70.0 ℃ 、100.0 kPa 条件下， 以90%的产率得到1-[(2,2-二氟-1,3-苯并二氧杂环戊烷-5-基)-甲基]哌嗪
  参考文献：
  名称：

  Reductive Amination by Continuous-Flow Hydrogenation: Direct and Scalable Synthesis of a Benzylpiperazine

  摘要：

  A benzylpiperazine was prepared directly from the corresponding benzaldehyde and piperazine on a continuous-flow hydrogenation apparatus. The synthesis was protecting group free, safe, and environmentally friendly. Large-scale synthesis under flow hydrogenation conditions was also demonstrated.

  DOI：

  10.1055/s-0032-1316550

文献信息

• Reductive Amination by Continuous-Flow Hydrogenation: Direct and Scalable Synthesis of a Benzylpiperazine
  作者：Jing Liu、Anne Fitzgerald、Neelakandha Mani

  DOI：10.1055/s-0032-1316550

  日期：2012.8

  A benzylpiperazine was prepared directly from the corresponding benzaldehyde and piperazine on a continuous-flow hydrogenation apparatus. The synthesis was protecting group free, safe, and environmentally friendly. Large-scale synthesis under flow hydrogenation conditions was also demonstrated.