1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-cyclohexyltetrazol-5-yl)-5-methylpyrrolidin-2-one | 1360435-48-8

• 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-(1,3-Benzodioxol-5-ylmethyl)-5-(1-cyclohexyltetrazol-5-yl)-5-methylpyrrolidin-2-one
• CAS: 1360435-48-8
• 化学式: C₂₀H₂₅N₅O₃
• 分子量: 383.45
• InChiKey: COQVHMNTEVPQJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  82.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-cyclohexyltetrazol-5-yl)-5-methylpyrrolidin-2-one
  参考文献：
  名称：

  Concise One-Pot Preparation of Unique Bis-Pyrrolidinone Tetrazoles

  摘要：

  A one-pot, two-step synthesis of bis-pyrrolidinone tetrazoles has been established via the Ugi-Azide reaction using methyl levulinate, primary amines, isocyanides and azidotrimethylsilane with subsequent acid treatment to catalyze the lactam formation. The efficiency of the protocol was established followed by a successful transition to library production in four 24-well plates.

  DOI：

  10.1021/co200209a

文献信息

• Concise One-Pot Preparation of Unique Bis-Pyrrolidinone Tetrazoles
  作者：Steven Gunawan、Joachim Petit、Christopher Hulme

  DOI：10.1021/co200209a

  日期：2012.3.12

  A one-pot, two-step synthesis of bis-pyrrolidinone tetrazoles has been established via the Ugi-Azide reaction using methyl levulinate, primary amines, isocyanides and azidotrimethylsilane with subsequent acid treatment to catalyze the lactam formation. The efficiency of the protocol was established followed by a successful transition to library production in four 24-well plates.