6-hydroperoxy-2-octyl-6-methyl-2H-pyran-3(6H)-one | 488791-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 6-hydroperoxy-2-octyl-6-methyl-2H-pyran-3(6H)-one
• 英文别名: 6-Hydroperoxy-6-methyl-2-octylpyran-3-one；6-hydroperoxy-6-methyl-2-octylpyran-3-one
• CAS: 488791-97-5
• 化学式: C₁₄H₂₄O₄
• 分子量: 256.342
• InChiKey: ZVPZHSYFIPKKCI-UHFFFAOYSA-N

物化性质

• 沸点：
  394.5±42.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-hydroperoxy-2-octyl-6-methyl-2H-pyran-3(6H)-one 在 二甲基硫 作用下， 以 乙醚 为溶剂， 以100%的产率得到6-hydroxy-6-methyl-2-octylpyran-3-one
  参考文献：
  名称：

  New procedures for the enantioselective oxidation of sulfides under stoichiometric and catalytic conditions

  摘要：

  Acid-catalyzed oxidation of 2-furylcarbinols with hydrogen peroxide affords alternatively 2-(1-hydroperoxyalkyl)furans 2 or 6-hydroperoxy-2H-pyran-3(6H)-ones 3. Compounds of the type 2 and 3 have been used Lis oxygen donors in efficient stoichiometric or catalytic procedures for the asymmetric sulfoxidation of prochiral sulfides in the presence of Ti(O-i-Pr)(4)/L-DET or Ti(O-i-Pr)(4)/(R)-BINOL/H2O systems. Positive non linear effects, (+)-NLE, were observed in the enantioselective oxidation of methyl p-tolyl sulfide, promoted by enantiomierically enriched Ti(IV)/BINOL/H2O complexes. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00326-9
• 作为产物：
  描述：

  正辛基镁溴盐 在 双氧水 、 对甲苯磺酸 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 20.0h， 生成 6-hydroperoxy-2-octyl-6-methyl-2H-pyran-3(6H)-one
  参考文献：
  名称：

  New procedures for the enantioselective oxidation of sulfides under stoichiometric and catalytic conditions

  摘要：

  Acid-catalyzed oxidation of 2-furylcarbinols with hydrogen peroxide affords alternatively 2-(1-hydroperoxyalkyl)furans 2 or 6-hydroperoxy-2H-pyran-3(6H)-ones 3. Compounds of the type 2 and 3 have been used Lis oxygen donors in efficient stoichiometric or catalytic procedures for the asymmetric sulfoxidation of prochiral sulfides in the presence of Ti(O-i-Pr)(4)/L-DET or Ti(O-i-Pr)(4)/(R)-BINOL/H2O systems. Positive non linear effects, (+)-NLE, were observed in the enantioselective oxidation of methyl p-tolyl sulfide, promoted by enantiomierically enriched Ti(IV)/BINOL/H2O complexes. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00326-9