2,2-dihydroperoxyheptane | 586964-29-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氢过氧化物
• 英文名称: 2,2-dihydroperoxyheptane
• CAS: 586964-29-6
• 化学式: C₇H₁₆O₄
• 分子量: 164.202
• InChiKey: ZQUCXCYSXGHQPP-UHFFFAOYSA-N

物化性质

• 沸点：
  291.9±23.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-庚酮 在 水 、 双氧水 、 rhenium(VII) oxide 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以94%的产率得到2,2-dihydroperoxyheptane
  参考文献：
  名称：

  Mild and Efficient Re(VII)-Catalyzed Synthesis of 1,1-Dihydroperoxides

  摘要：

  Re2O7 in CH3CN is a remarkably efficient and mild catalyst for the peroxyacetalization of ketones, aldehydes, or acetals by H2O2 to generate 1,1-dihydroperoxides. Me3SiOReO3 and methyl rhenium trioxide (MTO) are also effective catalysts under these reaction conditions.

  DOI：

  10.1021/ol801859c

文献信息

• Ketone peroxide compositions
  申请人：——

  公开号：US20040248990A1

  公开（公告）日：2004-12-09

  The invention pertains to a composition of a ketone peroxide comprising a) a peroxide derivative of the formula HOO—C(R 1 )(R 2 )—OOH wherein R 1 is a branched or unbranched alkyl group with 1 to 4 carbon atoms or alkenyl group with 2 to 4 carbon atoms; and R 2 is a branched or unbranched alkyl or alkenyl group with 5 to 12 carbon atoms; and b) a branched or unbranched hydrocarbon solvent; the peroxide derivative of a) having a solubility more than 40 g in 100 g of the solvent of b) at 20° C.; and comprises less than 10 wt % of a peroxide derivative of the formula HOO—C(R 1 )(R 2 )—OO—C(R 1 )(R 2 )—OOH, wherein R 1 and R 2 have the previously given meanings.

  本发明涉及一种酮过氧化物组合物，包括a) 公式HOO-C（R1）（R2）-OOH的过氧化物衍生物，其中R1是1至4个碳原子的分支或非分支烷基或2至4个碳原子的烯基基团; R2是5至12个碳原子的分支或非分支烷基或烯基基团; 以及b) 分支或非分支烃溶剂; a)中的过氧化物衍生物在20℃时在b)的溶剂中的溶解度大于40克/100克; 并且包括公式HOO-C（R1）（R2）-OO-C（R1）（R2）-OOH的过氧化物衍生物的重量百分含量小于10％，其中R1和R2具有上述给定的含义。
• KETONE PEROXIDE COMPOSITIONS
  申请人：Akzo Nobel N.V.

  公开号：EP1476424A1

  公开（公告）日：2004-11-17
• [EN] KETONE PEROXIDE COMPOSITIONS<br/>[FR] COMPOSITIONS DE PEROXYDE DE CETONE
  申请人：AKZO NOBEL NV

  公开号：WO2003070699A1

  公开（公告）日：2003-08-28

  The invention pertains to a composition of a ketone peroxide comprising a) a peroxide derivative of the formula HOO-C(R1)(R2)-OOH wherein R1 is a branched or unbranched alkyl group with 1 to 4 carbon atoms or alkenyl group with 2 to 4 carbon atoms; and R2 is a branched or unbranched alkyl or alkenyl group with 5 to 12 carbon atoms; and b) a branched or unbranched hydrocarbon solvent; the peroxide derivative of a) having a solubility more than 40 g in 100 g of the solvent of b) at 20°C; and comprises less than 10 wt.% of a peroxide derivative of the formula HOO-C(R1)(R2)-OO-C(R1)(R2)-OOH, wherein R1 and R2 have the previously given meanings.