1-oxo-hexahydropyrrolo[2,1-c][1,4]thiazine-4-carboxylic acid benzylamide | 1144108-40-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-oxo-hexahydropyrrolo[2,1-c][1,4]thiazine-4-carboxylic acid benzylamide
• 英文别名: (4R,8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]thiazine-4-carboxamide
• CAS: 1144108-40-6
• 化学式: C₁₅H₁₈N₂O₂S
• 分子量: 290.386
• InChiKey: ONFCATPXLHVWPE-STQMWFEESA-N

物化性质

• 沸点：
  561.4±50.0 °C(predicted)
• 密度：
  1.29±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  巯基乙醛 、 苄异腈 、 L-脯氨酸 以 2,2,2-三氟乙醇 为溶剂， 以21%的产率得到1-oxo-hexahydropyrrolo[2,1-c][1,4]thiazine-4-carboxylic acid benzylamide
  参考文献：
  名称：

  A Novel Δ-Thiolactone Scaffold by a Versatile Intramolecular Multicomponent Reaction

  摘要：

  The three component reaction of alpha-aminoacids, mercaptoacetaldehyde and an isocyanide smoothly and stereoselectively yields the novel scaffold 1,2-disubstituted N-alkyl(aryl)-6-oxo thiomorpholine-3-carboxamide. In this communication we present our preliminary results on six compounds derived from this unprecedented reaction.

  DOI：

  10.3987/com-08-s(f)101

文献信息

• A Novel Δ-Thiolactone Scaffold by a Versatile Intramolecular Multicomponent Reaction
  作者：Alexander Dömling、Stuti Srivastava、Barbara Beck、Eberhardt Herdtweck、Kareem Khoury

  DOI：10.3987/com-08-s(f)101

  日期：——

  The three component reaction of alpha-aminoacids, mercaptoacetaldehyde and an isocyanide smoothly and stereoselectively yields the novel scaffold 1,2-disubstituted N-alkyl(aryl)-6-oxo thiomorpholine-3-carboxamide. In this communication we present our preliminary results on six compounds derived from this unprecedented reaction.