Acetic acid (E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl ester | 71696-10-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Acetic acid (E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl ester
• 英文别名: (6-Hydroxy-3,7-dimethylocta-2,7-dienyl) acetate；(6-hydroxy-3,7-dimethylocta-2,7-dienyl) acetate
• CAS: 71696-10-1
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: AJCBRFGINYAOCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [5-(3,3-二甲基环氧乙烷-2-基)-3-甲基戊-2-烯基]乙酸酯 在 对甲苯磺酸钠 、 四乙基对甲苯磺酸铵 作用下， 以 1,2-二氯乙烷 为溶剂， 以73%的产率得到Acetic acid (E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl ester
  参考文献：
  名称：

  Electrocremical procedure directed to the selective ring opening of epoxides to allylic alcohols

  摘要：

  DOI：

  10.1016/s0040-4039(01)90202-3

文献信息

• Studies towards the Taming of the ‘Carbocation’ in the Regioselective Ring Opening of Epoxides to Allylic Alcohols
  作者：William Motherwell、Helen Chapman、Karim Herbal

  DOI：10.1055/s-0029-1219373

  日期：2010.3

  Regioselective isomerisation of epoxides to allylic alcohols can be achieved using p-toluenesulfonic acid in the presence of 1,3-dimethylimidazolidin-2-one.

  在 1,3-二甲基咪唑啉-2-one 存在下，使用对甲苯磺酸可以实现环氧化物向烯丙醇的区域选择性异构化。
• Mixed disproportionation versus radical trapping in titanocene(III)-promoted epoxide openings
  作者：José Justicia、Tania Jiménez、Sara P. Morcillo、Juan M. Cuerva、J. Enrique Oltra

  DOI：10.1016/j.tet.2009.10.038

  日期：2009.12

  The formation of either deoxygenation products or allylic alcohols from epoxides is observed when these Substrates are treated with CP2TiCl under anhydrous conditions. It seems that processes via trisubstituted radicals give allylic alcohols whereas processes via disubstituted radicals may give deoxygenation products or allylic alcohols depending on the Structure of the original epoxide. This method allows a controlled access to these functional groups, providing a useful tool in organic synthesis. A mechanistic discussion for these transformations is reported. (c) 2009 Elsevier Ltd. All rights reserved.
• Electrocremical procedure directed to the selective ring opening of epoxides to allylic alcohols
  作者：Kenji Uneyama、Noriyuki Nisiyama、Sigeru Torii

  DOI：10.1016/s0040-4039(01)90202-3

  日期：1984.1