3,7-dimethyl-1,5(E),7-octatrien-3-yl acetate | 53771-60-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,7-dimethyl-1,5(E),7-octatrien-3-yl acetate
• 英文别名: 3,7-Dimethylocta-1,5,7-trien-3-yl acetate；[(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] acetate
• CAS: 53771-60-1
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: BTTUBYGGUJLPGO-BQYQJAHWSA-N

物化性质

• 保留指数：
  1232;1232

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,7-dimethyl-1,5(E),7-octatrien-3-yl acetate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以85%的产率得到hotrienol
  参考文献：
  名称：

  A Practical and Convenient Synthesis of Hotrienol, an Excellent Fruity Smelling Compound

  摘要：

  The practical and convenient synthesis of hotrienol, which is an excellent fruity smelling compound, has been performed by the ene-type chlorination of linalyl acetate and then dehydrochlorinated by lithium bromide and lithium carbonate in DMF, followed by hydrolysis in three steps with an overall yield of 55%.

  DOI：

  10.1021/jf030031o
• 作为产物：
  描述：

  乙酸芳樟酯 在 calcium hypochlorite 、 硼酸 、 lithium carbonate 、 lithium bromide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3,7-dimethyl-1,5(E),7-octatrien-3-yl acetate
  参考文献：
  名称：

  A Practical and Convenient Synthesis of Hotrienol, an Excellent Fruity Smelling Compound

  摘要：

  The practical and convenient synthesis of hotrienol, which is an excellent fruity smelling compound, has been performed by the ene-type chlorination of linalyl acetate and then dehydrochlorinated by lithium bromide and lithium carbonate in DMF, followed by hydrolysis in three steps with an overall yield of 55%.

  DOI：

  10.1021/jf030031o

文献信息

• A Practical and Convenient Synthesis of Hotrienol, an Excellent Fruity Smelling Compound
  作者：Yoshifumi Yuasa、Yasushi Kato

  DOI：10.1021/jf030031o

  日期：2003.7.1

  The practical and convenient synthesis of hotrienol, which is an excellent fruity smelling compound, has been performed by the ene-type chlorination of linalyl acetate and then dehydrochlorinated by lithium bromide and lithium carbonate in DMF, followed by hydrolysis in three steps with an overall yield of 55%.