tertiary isopropyl-meta-xylene hydroperoxide | 58020-19-2

• 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: tertiary isopropyl-meta-xylene hydroperoxide
• 英文别名: 1-(2-Hydroperoxypropan-2-yl)-3,5-dimethylbenzene
• CAS: 58020-19-2
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: LBXOKSLVSNABOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  tertiary isopropyl-meta-xylene hydroperoxide 在 硫酸 作用下， 以 丙酮 为溶剂， 生成 3,5-二甲基苯酚
  参考文献：
  名称：

  Liquid-phase oxidation of isopropyl-meta-xylene to tertiary hydroperoxide

  摘要：

  Fundamental aspects and the mechanism of the reaction of liquid-phase oxidation of isopropyl-meta-xylene to a tertiary hydroperoxide by atmospheric oxygen, initiated by isopropylbenzene hydroperoxide or catalyzed by N-hydroxyphthalimide were studied. It was found that using N-hydroxyphthalimide in the course of oxidation of isopropyl-meta-xylene makes it possible to raise, compared with the initiator (isopropylbenzene hydroperoxide), the oxidation rate and the conversion of the hydrocarbon by a factor of 2-2.5 at a 90-95% formation selectivity of a tertiary hydroperoxide of isopropyl-meta-xylene up to a conversion of 20-25%.

  DOI：

  10.1134/s1070427214070088
• 作为产物：
  描述：

  间二甲苯 、 异丙醇 在 硫酸 、 N-羟基邻苯二甲酰亚胺 、 氧气 作用下， 反应 2.0h， 以97%的产率得到tertiary isopropyl-meta-xylene hydroperoxide
  参考文献：
  名称：

  Liquid-phase oxidation of isopropyl-meta-xylene to tertiary hydroperoxide

  摘要：

  Fundamental aspects and the mechanism of the reaction of liquid-phase oxidation of isopropyl-meta-xylene to a tertiary hydroperoxide by atmospheric oxygen, initiated by isopropylbenzene hydroperoxide or catalyzed by N-hydroxyphthalimide were studied. It was found that using N-hydroxyphthalimide in the course of oxidation of isopropyl-meta-xylene makes it possible to raise, compared with the initiator (isopropylbenzene hydroperoxide), the oxidation rate and the conversion of the hydrocarbon by a factor of 2-2.5 at a 90-95% formation selectivity of a tertiary hydroperoxide of isopropyl-meta-xylene up to a conversion of 20-25%.

  DOI：

  10.1134/s1070427214070088

文献信息

• US4163863A
  申请人：——

  公开号：US4163863A

  公开（公告）日：1979-08-07
• Liquid-phase oxidation of isopropyl-meta-xylene to tertiary hydroperoxide
  作者：A. S. Frolov、E. A. Kurganova、G. N. Koshel’

  DOI：10.1134/s1070427214070088

  日期：2014.7

  Fundamental aspects and the mechanism of the reaction of liquid-phase oxidation of isopropyl-meta-xylene to a tertiary hydroperoxide by atmospheric oxygen, initiated by isopropylbenzene hydroperoxide or catalyzed by N-hydroxyphthalimide were studied. It was found that using N-hydroxyphthalimide in the course of oxidation of isopropyl-meta-xylene makes it possible to raise, compared with the initiator (isopropylbenzene hydroperoxide), the oxidation rate and the conversion of the hydrocarbon by a factor of 2-2.5 at a 90-95% formation selectivity of a tertiary hydroperoxide of isopropyl-meta-xylene up to a conversion of 20-25%.