ethyl (E)-6-hydroperoxy-6-methoxy-2-methylhept-2-enoate | 1173693-53-2

• 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: ethyl (E)-6-hydroperoxy-6-methoxy-2-methylhept-2-enoate
• CAS: 1173693-53-2
• 化学式: C₁₁H₂₀O₅
• 分子量: 232.277
• InChiKey: AXYJOQGCIADRTF-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (E)-6-hydroperoxy-6-methoxy-2-methylhept-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， 生成 、
  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：

  甲醇 、 ethyl (E)-2-methyl-6-oxo-2-heptenoate 在 过氧化脲素 、 scandium tris(trifluoromethanesulfonate) 作用下， 反应 2.0h， 以34%的产率得到ethyl (E)-6-hydroperoxy-6-methoxy-2-methylhept-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