5-(3-苯基丙氧基)辛-7-烯基乙酸酯 | 1253279-27-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-(3-苯基丙氧基)辛-7-烯基乙酸酯
• 英文名称: 5-(3-phenylpropoxy)oct-7-enyl acetate
• CAS: 1253279-27-4
• 化学式: C₁₉H₂₈O₃
• 分子量: 304.43
• InChiKey: CEMZKXKGZAXXET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  22.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-(3-苯基丙氧基)辛-7-烯基乙酸酯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 3.67h， 以89%的产率得到
  参考文献：
  名称：

  Bismuth(III) bromide in organic synthesis. A catalytic method for the allylation of tetrahydrofuranyl and tetrahydropyranyl ethers

  摘要：

  A bismuth bromide-catalyzed (10.0 mol %) multicomponent reaction involving the allylation of THF- and THP-ethers, followed by in situ derivatization with acetic anhydride to generate highly functionalized esters has been developed under solvent-free conditions. To the best of our knowledge, this is the first report of a catalytic procedure for the allylation of THF- and THP-ethers to yield ring-opened products. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.079
• 作为产物：
  描述：

  乙酸酐 、 2-(3-phenylpropoxy)tetrahydro-2H-pyran 、 烯丙基三甲基硅烷 在 溴化铋 作用下， 反应 2.25h， 以49%的产率得到5-(3-苯基丙氧基)辛-7-烯基乙酸酯
  参考文献：
  名称：

  Bismuth(III) bromide in organic synthesis. A catalytic method for the allylation of tetrahydrofuranyl and tetrahydropyranyl ethers

  摘要：

  A bismuth bromide-catalyzed (10.0 mol %) multicomponent reaction involving the allylation of THF- and THP-ethers, followed by in situ derivatization with acetic anhydride to generate highly functionalized esters has been developed under solvent-free conditions. To the best of our knowledge, this is the first report of a catalytic procedure for the allylation of THF- and THP-ethers to yield ring-opened products. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.079