(3S,5S)-1-(4-methoxyphenyl)-7-phenylheptane-3,5-diol | 1279057-53-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (3S,5S)-1-(4-methoxyphenyl)-7-phenylheptane-3,5-diol
• CAS: 1279057-53-2
• 化学式: C₂₀H₂₆O₃
• 分子量: 314.425
• InChiKey: RTUBMPADSQKEQH-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S,5S)-1-(4-methoxyphenyl)-7-phenylheptane-3,5-diol 在 aluminum (III) chloride 、 乙硫醇 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到(3S,5S)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol
  参考文献：
  名称：

  Chiron approach to the synthesis of yashabushidiol B, (3S,5S)-1-(4′-hydroxyphenyl)-7-phenylheptane-3,5-diol, and its 4′-methoxy analogue

  摘要：

  The total synthesis of yashabushidiol B 4, a linear diarylheptanoid containing a 1,3-diol system and its analogues 5 and 6 has been achieved by utilizing intermediate 7, which was derived from D-glucose. The Wittig reaction is the key step of our synthetic strategy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.12.015
• 作为产物：
  描述：

  (3R,5S)-1-(4-methoxyphenyl)-3-benzyloxy-7-phenylhept-1-ene-5-ol 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 25.0 ℃ 、551.59 kPa 条件下， 反应 12.0h， 以98%的产率得到(3S,5S)-1-(4-methoxyphenyl)-7-phenylheptane-3,5-diol
  参考文献：
  名称：

  Chiron approach to the synthesis of yashabushidiol B, (3S,5S)-1-(4′-hydroxyphenyl)-7-phenylheptane-3,5-diol, and its 4′-methoxy analogue

  摘要：

  The total synthesis of yashabushidiol B 4, a linear diarylheptanoid containing a 1,3-diol system and its analogues 5 and 6 has been achieved by utilizing intermediate 7, which was derived from D-glucose. The Wittig reaction is the key step of our synthetic strategy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.12.015

文献信息

• Chiron approach to the synthesis of yashabushidiol B, (3S,5S)-1-(4′-hydroxyphenyl)-7-phenylheptane-3,5-diol, and its 4′-methoxy analogue
  作者：Vishwas U. Pawar、Vaishali S. Shinde

  DOI：10.1016/j.tetasy.2010.12.015

  日期：2011.1

  The total synthesis of yashabushidiol B 4, a linear diarylheptanoid containing a 1,3-diol system and its analogues 5 and 6 has been achieved by utilizing intermediate 7, which was derived from D-glucose. The Wittig reaction is the key step of our synthetic strategy. (C) 2010 Elsevier Ltd. All rights reserved.