(E)-1-cyclohexyl-3,7-dimethylocta-2,6-dien-1-yl acetate | 1010081-82-9

• 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: (E)-1-cyclohexyl-3,7-dimethylocta-2,6-dien-1-yl acetate
• 英文别名: (E)-1-cyclohexyl-3,7-dimethyl-octa-2,6-dienyl acetate
• CAS: 1010081-82-9
• 化学式: C₁₈H₃₀O₂
• 分子量: 278.435
• InChiKey: PVMRBDXJOIDTEM-FYWRMAATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (E)-1-cyclohexyl-3,7-dimethylocta-2,6-dien-1-yl acetate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Au-Catalyzed Cyclization of Monoallylic Diols

  摘要：

  The Ph3PAuCl/AgOTf-catalyzed cyclization of monoallylic diols to form tetrahydropyrans is reported. The reactions proceed rapidly at temperatures as low as -78 degrees C with catalyst loadings as low as 0.1 mol % to provide the products in 79-99% yield. A broad range of structurally diverse substrates perform well in the reaction. When 2,6-disubstituted tetrahydropyrans are produced, the reaction is highly diastereoselective for the 2,6-cis product.

  DOI：

  10.1021/ol703002p
• 作为产物：
  描述：

  、 乙酰氯 以 四氢呋喃 为溶剂， 反应 2.0h， 以477.2 mg的产率得到(E)-1-cyclohexyl-3,7-dimethylocta-2,6-dien-1-yl acetate
  参考文献：
  名称：

  Au-Catalyzed Cyclization of Monoallylic Diols

  摘要：

  The Ph3PAuCl/AgOTf-catalyzed cyclization of monoallylic diols to form tetrahydropyrans is reported. The reactions proceed rapidly at temperatures as low as -78 degrees C with catalyst loadings as low as 0.1 mol % to provide the products in 79-99% yield. A broad range of structurally diverse substrates perform well in the reaction. When 2,6-disubstituted tetrahydropyrans are produced, the reaction is highly diastereoselective for the 2,6-cis product.

  DOI：

  10.1021/ol703002p

文献信息

• Catalytic Stereospecific Allyl–Allyl Cross-Coupling of Internal Allyl Electrophiles with AllylB(pin)
  作者：Hai Le、Amanda Batten、James P. Morken

  DOI：10.1021/ol500456s

  日期：2014.4.18

  Application of internal electrophiles in catalytic stereospecific allyl allyl cross-coupling enable the rapid construction of multisubstituted 1,5-dienes, including those with all carbon quaternary centers. Compounds with minimal steric differentiation can be synthesized with high enantiomeric excess.