4-(3-(pyrrol-1-yl)benzyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide | 1195786-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-(3-(pyrrol-1-yl)benzyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
• 英文别名: N-(2-ethoxyphenyl)-4-[(3-pyrrol-1-ylphenyl)methyl]piperazine-1-carboxamide
• CAS: 1195786-16-3
• 化学式: C₂₄H₂₈N₄O₂
• 分子量: 404.512
• InChiKey: NURDHVHPWIOOMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[2-(ethyloxy)phenyl]piperazine-1-carboxamide 、 1-(3-溴甲基)苯基-吡咯 在 polystyrene-bound N-methylmorpholine 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.1h， 以40 mg的产率得到4-(3-(pyrrol-1-yl)benzyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
  参考文献：
  名称：

  A Multistep Continuous-Flow System for Rapid On-Demand Synthesis of Receptor Ligands

  摘要：

  A multistep continuous-flow system for synthesis of receptor ligands by assembly of three variable building blocks in a single unbroken flow is described. The sequence consists of three reactions and two scavenger steps, where a Cbz-protected diamine is reacted with an isocyanate, deprotected, and reacted further with an alkylating agent.

  DOI：

  10.1021/ol902101c

文献信息

• A Multistep Continuous-Flow System for Rapid On-Demand Synthesis of Receptor Ligands
  作者：Trine P. Petersen、Andreas Ritzén、Trond Ulven

  DOI：10.1021/ol902101c

  日期：2009.11.19

  A multistep continuous-flow system for synthesis of receptor ligands by assembly of three variable building blocks in a single unbroken flow is described. The sequence consists of three reactions and two scavenger steps, where a Cbz-protected diamine is reacted with an isocyanate, deprotected, and reacted further with an alkylating agent.