| 1157997-17-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1157997-17-5
• 化学式: C₁₈H₂₃NO₆
• 分子量: 349.384
• InChiKey: RKQIRUZELKDUNH-GDBMZVCRSA-N

物化性质

• 沸点：
  524.5±50.0 °C(predicted)
• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  94.42
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以25.5 mg的产率得到
  参考文献：
  名称：

  Stereoselective Synthesis of 1,3-Disaccharides through Diels-Alder Reactions: Part 2^{[ ]}: Convenient Protecting Groups for Heterodienes and Conformational Evaluations

  摘要：

  Improved synthesis of 1,3-disaccharides, obtained diastereomerically pure by [4+2] hetero cycloadditions between glycals and -thiono- -keto- -lactones, has been reported. The choice of appropriate protecting groups for -keto- -lactones, stable under cycloaddition conditions employed, sensibly shortened the synthesis of heterodienic precursors. The first example of a -oxy-imino- -lactone synthesized from -keto- -lactones was also reported. Molecular modeling and conformational evaluations about the cycloaddition features allowed tentatively rationalizing the experimental results.

  DOI：

  10.1080/07328300902752223
• 作为产物：
  描述：

  4-O-benzyl-2-deoxy-1,3-dioxo-6-O-pivaloyl-D-galactopyranose 在 盐酸羟胺 、 sodium acetate 作用下， 以 水 、 异丙醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Stereoselective Synthesis of 1,3-Disaccharides through Diels-Alder Reactions: Part 2^{[ ]}: Convenient Protecting Groups for Heterodienes and Conformational Evaluations

  摘要：

  Improved synthesis of 1,3-disaccharides, obtained diastereomerically pure by [4+2] hetero cycloadditions between glycals and -thiono- -keto- -lactones, has been reported. The choice of appropriate protecting groups for -keto- -lactones, stable under cycloaddition conditions employed, sensibly shortened the synthesis of heterodienic precursors. The first example of a -oxy-imino- -lactone synthesized from -keto- -lactones was also reported. Molecular modeling and conformational evaluations about the cycloaddition features allowed tentatively rationalizing the experimental results.

  DOI：

  10.1080/07328300902752223