2,6-Dimethyl-oct-2,7-dien-7-oloat | 42895-97-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,6-Dimethyl-oct-2,7-dien-7-oloat
• 英文别名: Ethyl (E)-6-Hydroxy-2,6-dimethylocta-2,7-dienoate；ethyl (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
• CAS: 42895-97-6
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: SUZRSVLRBYXDFA-CSKARUKUSA-N

物化性质

• 沸点：
  308.3±42.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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

• 作为反应物：
  描述：

  2,6-Dimethyl-oct-2,7-dien-7-oloat 在 sodium hydroxide 、 lutidine 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 (E)-6-(tert-Butyl-dimethyl-silanyloxy)-2,6-dimethyl-octa-2,7-dienoic acid
  参考文献：
  名称：

  Synthesis of (±)-(E)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid and the corresponding amide (“acacialactam”)

  摘要：

  The total synthesis of the title compounds in racemic form is described. Linalool was used as the starting material and transformed into the target molecules in 6 steps. The synthetic amide displays spectral properties identical to those reported for the natural compound acacialactam, indicating that the structure proposed for the latter compound is not correct.

  DOI：

  10.1016/s0040-4039(00)76907-3
• 作为产物：
  描述：

  芳樟醇 在 吡啶 、 臭氧 、 苯甲酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 2.75h， 生成 2,6-Dimethyl-oct-2,7-dien-7-oloat
  参考文献：
  名称：

  Synthesis of (±)-(E)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid and the corresponding amide (“acacialactam”)

  摘要：

  The total synthesis of the title compounds in racemic form is described. Linalool was used as the starting material and transformed into the target molecules in 6 steps. The synthetic amide displays spectral properties identical to those reported for the natural compound acacialactam, indicating that the structure proposed for the latter compound is not correct.

  DOI：

  10.1016/s0040-4039(00)76907-3

文献信息

• Synthesis of (±)-(E)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid and the corresponding amide (“acacialactam”)
  作者：Miguel Carda、Juan Murga、J.Alberto Marco

  DOI：10.1016/s0040-4039(00)76907-3

  日期：1994.5

  The total synthesis of the title compounds in racemic form is described. Linalool was used as the starting material and transformed into the target molecules in 6 steps. The synthetic amide displays spectral properties identical to those reported for the natural compound acacialactam, indicating that the structure proposed for the latter compound is not correct.