(4S,6S)-4-Allyl-6-((Z)-hept-1-enyl)-2,2-dimethyl-[1,3]dioxane | 220465-74-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4S,6S)-4-Allyl-6-((Z)-hept-1-enyl)-2,2-dimethyl-[1,3]dioxane
• CAS: 220465-74-7
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: FYUHRZTYGBEWJU-IMKYVTMTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  18.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (4S,6S)-4-Allyl-6-((Z)-hept-1-enyl)-2,2-dimethyl-[1,3]dioxane 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以84%的产率得到(4R,6S)-4-Heptyl-2,2-dimethyl-6-propyl-[1,3]dioxane
  参考文献：
  名称：

  Studies on the Stereochemistry of Theonezolides A-C: Elucidation of the Relative Configurations of 1,3-Diol Moieties of the C-4Å`C-17 Fragment

  摘要：

  Four model compounds having syn and anti 1,3-diol type moieties corresponding to C-8/C-10 and C-14/C-16 positions contained in the C-4 similar to C-17 fragment of theonezolides A-C were prepared. Comparison of their spectral data suggested that the 1,3-diol at C-8/C-10 and the OH/OMe groups at C-14/C-16 positions of theonezolides A-C were both syn.

  DOI：

  10.3987/com-97-s6-1
• 作为产物：
  描述：

  (2S,4S)-6-heptene-1,2,4-triol 在 咪唑 、 sodium hydroxide 、 正丁基锂 、 4-甲基苯磺酸吡啶 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 (4S,6S)-4-Allyl-6-((Z)-hept-1-enyl)-2,2-dimethyl-[1,3]dioxane
  参考文献：
  名称：

  Studies on the Stereochemistry of Theonezolides A-C: Elucidation of the Relative Configurations of 1,3-Diol Moieties of the C-4Å`C-17 Fragment

  摘要：

  Four model compounds having syn and anti 1,3-diol type moieties corresponding to C-8/C-10 and C-14/C-16 positions contained in the C-4 similar to C-17 fragment of theonezolides A-C were prepared. Comparison of their spectral data suggested that the 1,3-diol at C-8/C-10 and the OH/OMe groups at C-14/C-16 positions of theonezolides A-C were both syn.

  DOI：

  10.3987/com-97-s6-1