N-(cyclopentyl(morpholino)methylene)-4-nitrobenzenesulfonamide | 20560-96-7

• 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-(cyclopentyl(morpholino)methylene)-4-nitrobenzenesulfonamide
• 英文别名: 4-[N-(4-nitro-benzenesulfonyl)-cyclopentanecarboximidoyl]-morpholine；N-[cyclopentyl(morpholin-4-yl)methylidene]-4-nitrobenzenesulfonamide
• CAS: 20560-96-7
• 化学式: C₁₆H₂₁N₃O₅S
• 分子量: 367.426
• InChiKey: NAFSNFNUKCOUTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  p-nitrobenzenesulfonyl azide 、 1-吗啉基-1-环己烯 以 乙醚 为溶剂， 反应 0.33h， 以82%的产率得到N-(cyclopentyl(morpholino)methylene)-4-nitrobenzenesulfonamide
  参考文献：
  名称：

  Facile Synthesis of Sulfonyl Amidines by 1,3-Dipolar Cycloaddition between 1-Morpholinocycloalkenes and Sulfonyl Azides without Catalyst

  摘要：

  Three new series of sulfonyl amidines were prepared by 1,3-dipolar cycloaddition reaction between 1-morpholinocycloalkenes and various substituted sulfonyl azides without catalyst at room temperature. This reaction yielded unstable bicyclic Delta(2)-1,2,3-triazoline intermediates which rearranged themselves in situ into amidines by elimination of a nitrogen molecule. The reactions were performed under mild conditions and with moderate to good yields.

  DOI：

  10.3987/com-16-13503