(3S,5S)-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate | 1340478-21-8

• 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: (3S,5S)-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate
• 英文别名: [(3S,5S)-5-acetyloxy-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptyl] acetate
• CAS: 1340478-21-8
• 化学式: C₂₁H₃₂O₇
• 分子量: 396.481
• InChiKey: RTWOXGBDQOLQKF-JXFKEZNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (3S,5S)-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate 在 ammonium cerium (IV) nitrate 、 sodium dithionite 作用下， 以 水 、 乙腈 、 四氢呋喃 为溶剂， 以90%的产率得到(3S,5S)-3-(2,5-dihydroxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate
  参考文献：
  名称：

  Asymmetric total syntheses of heliannuol E and epi-heliannuol E

  摘要：

  Asymmetric total syntheses of heliannuol E and epi-heliannuol E were achieved in 10 and 13 steps, respectively, from the commercially available starting materials. The syntheses feature an intramolecular attacking on the sulfate to form the dihydropyran ring of heliannuol E and an acyl transfer-secondary carbocation capture sequence to construct the dihydropyran ring of epi-heliannuol E. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.131
• 作为产物：
  描述：

  、 乙酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3R,5R)-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate 、 (3S,5S)-3-(2,5-dimethoxy-4-methylphenyl)-6-hydroxy-6-methylheptane-1,5-diyl diacetate
  参考文献：
  名称：

  Asymmetric total syntheses of heliannuol E and epi-heliannuol E

  摘要：

  Asymmetric total syntheses of heliannuol E and epi-heliannuol E were achieved in 10 and 13 steps, respectively, from the commercially available starting materials. The syntheses feature an intramolecular attacking on the sulfate to form the dihydropyran ring of heliannuol E and an acyl transfer-secondary carbocation capture sequence to construct the dihydropyran ring of epi-heliannuol E. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.131