3-ethoxy-6-((E)-2-ethoxycarbonyl-2-butenyl)-2,6-dimethylcyclohex-2-en-1-one | 1086615-71-5

• 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: 3-ethoxy-6-((E)-2-ethoxycarbonyl-2-butenyl)-2,6-dimethylcyclohex-2-en-1-one
• 英文别名: ethyl (E)-2-[(4-ethoxy-1,3-dimethyl-2-oxocyclohex-3-en-1-yl)methyl]but-2-enoate
• CAS: 1086615-71-5
• 化学式: C₁₇H₂₆O₄
• 分子量: 294.391
• InChiKey: KNNFTSGSHLCUEA-AWNIVKPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-ethoxy-6-((E)-2-ethoxycarbonyl-2-butenyl)-2,6-dimethylcyclohex-2-en-1-one 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以41%的产率得到2-ethoxy-7-endo-ethoxycarbonyl-1,5,8-exo-trimethylbicyclo[3.3.1]non-2-en-9-one
  参考文献：
  名称：

  Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols

  摘要：

  The construction of a highly functionalized adamantane core of plukenetione-type polycyclic polyprenylated acylphloroglucinols (PPAPs) is described. The method features the construction of the bicyclo[3.3.1]nonane core (3) by successive Michael reactions and the construction of the adamantane core of plukenetione-type PPAPs by acid-catalyzed cyclization of a bicyclo[3.3.1]nonane precursor (2).

  DOI：

  10.1021/jo801595y
• 作为产物：
  描述：

  ethyl 2-(1-acetoxyethyl)acrylate 、 3-ethoxy-2,6-dimethyl-2-cyclohexen-1-one 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.5h， 以92%的产率得到3-ethoxy-6-((E)-2-ethoxycarbonyl-2-butenyl)-2,6-dimethylcyclohex-2-en-1-one
  参考文献：
  名称：

  Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols

  摘要：

  The construction of a highly functionalized adamantane core of plukenetione-type polycyclic polyprenylated acylphloroglucinols (PPAPs) is described. The method features the construction of the bicyclo[3.3.1]nonane core (3) by successive Michael reactions and the construction of the adamantane core of plukenetione-type PPAPs by acid-catalyzed cyclization of a bicyclo[3.3.1]nonane precursor (2).

  DOI：

  10.1021/jo801595y

文献信息

• Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols
  作者：Ryukichi Takagi、Yuta Inoue、Katsuo Ohkata

  DOI：10.1021/jo801595y

  日期：2008.12.5

  The construction of a highly functionalized adamantane core of plukenetione-type polycyclic polyprenylated acylphloroglucinols (PPAPs) is described. The method features the construction of the bicyclo[3.3.1]nonane core (3) by successive Michael reactions and the construction of the adamantane core of plukenetione-type PPAPs by acid-catalyzed cyclization of a bicyclo[3.3.1]nonane precursor (2).