(1S,2R,5S,6S)-hydroxy-3,11-dioxa-7,9-diazatricyclo<4.3.1.1^2,5>undecan-8-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: (1S,2R,5S,6S)-hydroxy-3,11-dioxa-7,9-diazatricyclo<4.3.1.1^2,5>undecan-8-thione
• 英文别名: (1S,2R,5S,6S)-1-hydroxy-3,11-dioxa-7,9-diazatricyclo[4.3.1.12,5]undecane-8-thione
• 化学式: C₇H₁₀N₂O₃S
• 分子量: 202.234
• InChiKey: ARZGUPGHLDSZJV-OHKRPGQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  左旋葡萄糖酮 、 硫脲 在 哌啶 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 30.0h， 以53%的产率得到(1S,2R,5S,6S)-hydroxy-3,11-dioxa-7,9-diazatricyclo<4.3.1.1^2,5>undecan-8-thione
  参考文献：
  名称：

  Synthesis of heterocyclic systems with a carbohydrate fragment

  摘要：

  The reactions of levoglucosenone with urea, thiourea and N-cyano- and N-nitroguanidines result in pyrimidine systems fused with a carbohydrate fragment. In all cases, the cyclization occurs stereospecifically. The structures of different products of conversion of levoglucosenone were established on the basis of NMR and X-ray diffraction data.

  DOI：

  10.1007/bf01433980

文献信息

• Synthesis of heterocyclic systems with a carbohydrate fragment
  作者：A. V. Samet、A. N. Yamskov、B. I. Ugrak、L. G. Vorontsova、M. G. Kurella、V. V. Semenov

  DOI：10.1007/bf01433980

  日期：1996.2

  The reactions of levoglucosenone with urea, thiourea and N-cyano- and N-nitroguanidines result in pyrimidine systems fused with a carbohydrate fragment. In all cases, the cyclization occurs stereospecifically. The structures of different products of conversion of levoglucosenone were established on the basis of NMR and X-ray diffraction data.