bis(1-methyl-3,5-di-tert-butyl-4-oxo-cyclohexa-2,5-dienyl) peroxide | 51033-92-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: bis(1-methyl-3,5-di-tert-butyl-4-oxo-cyclohexa-2,5-dienyl) peroxide
• 英文别名: 2,6-Ditert-butyl-4-(3,5-ditert-butyl-1-methyl-4-oxocyclohexa-2,5-dien-1-yl)peroxy-4-methylcyclohexa-2,5-dien-1-one
• CAS: 51033-92-2
• 化学式: C₃₀H₄₆O₄
• 分子量: 470.693
• InChiKey: WPNAFRSOLAODPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,6-二(叔丁基)-4-羟基-4-甲基-2,5-环己二烯-1-酮 在 甲酸 、 双氧水 作用下， 以 正己烷 为溶剂， 生成 bis(1-methyl-3,5-di-tert-butyl-4-oxo-cyclohexa-2,5-dienyl) peroxide
  参考文献：
  名称：

  Some unusual oxidation products of 2,6-di-tert-butyl-4-methylphenol

  摘要：

  DOI：

  10.1021/jo00409a011

文献信息

• A New Methodology for the Bis(oxocyclohexadienyl) Peroxide Formation
  作者：Kanji Omura

  DOI：10.1021/jo971307s

  日期：1997.12.1

  Symmetrically substituted bis(4-oxocyclohexa-2,5-dienyl) peroxide 5 (R = R') as well as unsymmetrically substituted 5 (R not equal R') can be prepared efficiently by treating 4-halogenocyclohexa-2,5-dienone 3 with 4-hydroperoxycyclohexa-2,5-dienone 4 in the presence of an appropriate positive halogen compound such as N-iodosuccinimide, Acetonitrile is a suitable solvent for the reaction, The formation of 5 is suggested to take place via electrophilic attack by the positive halogen species upon 3 generating the 4-oxocyclohexa-2,5-dienyl cation (or the phenoxy cation), followed by nucleophilic attack by 4 upon the cation, It is emphasized that some of the peroxides obtained by this means have not been prepared by the classical method, coupling of phenoxy radicals with O-2.
• Some unusual oxidation products of 2,6-di-tert-butyl-4-methylphenol
  作者：Ben M. Benjamin、Vernon F. Raaen、Edward W. Hagaman、Lloyd L. Brown

  DOI：10.1021/jo00409a011

  日期：1978.7