(E)-ethyl 6-hydroperoxy-2,6-dimethylhept-2-enoate | 1173693-52-1

• 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)-ethyl 6-hydroperoxy-2,6-dimethylhept-2-enoate
• CAS: 1173693-52-1
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.277
• InChiKey: VMGRTEBGOJMQOS-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 6-hydroperoxy-2,6-dimethylhept-2-enoate 在 吡啶 、 palladium diacetate 、 对苯醌 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以31%的产率得到Ethyl 2-(6,6-dimethyldioxan-3-yl)prop-2-enoate
  参考文献：
  名称：

  Palladium(II)-Catalyzed Cyclization of Unsaturated Hydroperoxides for the Synthesis of 1,2-Dioxanes

  摘要：

  The cyclization of gamma,delta-unsaturated tertiary hydroperoxides in the presence of a palladium(II) catalyst afforded 1,2-dioxanes resembling biologically active natural products. A variety of substrates were screened, and synthetic manipulations were accomplished to construct compounds with structural similarity to antimalarial targets.

  DOI：

  10.1021/ol901046z
• 作为产物：
  描述：

  在 双氧水 、 silver nitrate 作用下， 以 乙醚 为溶剂， 以0.46 g的产率得到(E)-ethyl 6-hydroperoxy-2,6-dimethylhept-2-enoate
  参考文献：
  名称：

  Palladium(II)-Catalyzed Cyclization of Unsaturated Hydroperoxides for the Synthesis of 1,2-Dioxanes

  摘要：

  The cyclization of gamma,delta-unsaturated tertiary hydroperoxides in the presence of a palladium(II) catalyst afforded 1,2-dioxanes resembling biologically active natural products. A variety of substrates were screened, and synthetic manipulations were accomplished to construct compounds with structural similarity to antimalarial targets.

  DOI：

  10.1021/ol901046z