4-(cyclohex-2-enyl)-3-hydroperoxy-3-methylbutylbenzene | 1173693-51-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(cyclohex-2-enyl)-3-hydroperoxy-3-methylbutylbenzene
• 英文别名: (4-Cyclohex-2-en-1-yl-3-hydroperoxy-3-methylbutyl)benzene
• CAS: 1173693-51-0
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: BRVXAJKDWKVLBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(cyclohex-2-enyl)-3-hydroperoxy-3-methylbutylbenzene 在 吡啶 、 palladium diacetate 、 silver carbonate 、 对苯醌 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 3-methyl-3-phenethyl-3,4,4a,5,6,8a-hexahydrobenzo[c][1,2]dioxine 、 3-methyl-3-phenethyl-3,4,4a,5,6,8a-hexahydrobenzo[c][1,2]dioxine 、 3-methyl-3-phenethyl-3,4,4a,5,6,8a-hexahydrobenzo[c][1,2]dioxine
  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0.1 g的产率得到4-(cyclohex-2-enyl)-3-hydroperoxy-3-methylbutylbenzene
  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