N-butyl-4-(3-phenoxybenzyl)piperazine-1-carboxamide | 1195786-11-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-butyl-4-(3-phenoxybenzyl)piperazine-1-carboxamide
• 英文别名: N-butyl-4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxamide
• CAS: 1195786-11-8
• 化学式: C₂₂H₂₉N₃O₂
• 分子量: 367.491
• InChiKey: AXODINSKOCENEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间苯氧基溴化苄 、 N-丁基哌嗪-1-甲酰胺 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16 mg的产率得到N-butyl-4-(3-phenoxybenzyl)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.