(1'S)-1-ketopinoxy-1,3-cyclohexadiene

• 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: (1'S)-1-ketopinoxy-1,3-cyclohexadiene
• 英文别名: cyclohexa-1,3-dien-1-yl (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: MYAXCQNQVQJEOG-BZNIZROVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  diiron nonacarbonyl 、 (1'S)-1-ketopinoxy-1,3-cyclohexadiene 以 乙醚 为溶剂， 以68%的产率得到(1R,2R,3S,4S)-[(1-4-η)-1-(1'S)-ketopinoxy-1,3-cyclohexadiene]tricarbonyliron
  参考文献：
  名称：

  Completely Diastereoselective Tricarbonyliron Complexation Reactions of Chiral Dienes

  摘要：

  Complexation of cylic and acyclic dienes, carrying a (1S)-(+)-ketopinoxy as the chiral auxiliary, with nonacarbonyldiiron proceeds in a completely diastereoselective fashion to afford diene-iron complexes in moderate yields. When (1R)-(-)-ketopinoxy was used as the chiral auxiliary, the opposite enantioisomeric complexes are isolated as a single diastereomer in comparable yield and specific rotation in each case. The stereochemistry of chiral cyclic and acyclic diene-iron complexes is determined by single-crystal X-ray methods.

  DOI：

  10.1021/om000719f