| 1598426-49-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1598426-49-3
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: XXFGHOXIURXXFC-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.31
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Synthesis of α,α′-trans-Oxepanes through an Organocatalytic Oxa-conjugate Addition Reaction

  摘要：

  Oxepanes are found in a wide range of natural products; however, they are challenging synthetic targets due to enthalpic and entropic barriers. Organocatalytic oxa-conjugate addition reactions promoted by the gem-disubstituent (Thorpe-Ingold) effect stereoselectively provided alpha,alpha'-trans-oxepanes. In addition, the potential of an organocatalytic tandem oxa-conjugate addition/alpha-oxidation was demonstrated in a rapid generation of molecular complexity. These organocatalytic oxa-conjugate addition reactions would provide powerful tools for the synthesis of natural products that contain highly functionalized oxepanes.

  DOI：

  10.1021/ol500773w
• 作为产物：
  描述：

  magnesium,pent-1-ene,bromide 、 (R)-苄氧甲基环氧乙烷 在 copper(l) iodide 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis of α,α′-trans-Oxepanes through an Organocatalytic Oxa-conjugate Addition Reaction

  摘要：

  Oxepanes are found in a wide range of natural products; however, they are challenging synthetic targets due to enthalpic and entropic barriers. Organocatalytic oxa-conjugate addition reactions promoted by the gem-disubstituent (Thorpe-Ingold) effect stereoselectively provided alpha,alpha'-trans-oxepanes. In addition, the potential of an organocatalytic tandem oxa-conjugate addition/alpha-oxidation was demonstrated in a rapid generation of molecular complexity. These organocatalytic oxa-conjugate addition reactions would provide powerful tools for the synthesis of natural products that contain highly functionalized oxepanes.

  DOI：

  10.1021/ol500773w