1-(5-(tert-butyl)-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-(tert-butyl)-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
• 英文别名: 1-(5-tert-butyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: GZGNSIVADPEUFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-叔丁基茴香醚 在 三氯化铝 作用下， 以 二硫化碳 、 苯 为溶剂， 反应 28.0h， 生成 1-(5-(tert-butyl)-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Self-Initiated Autoxidation of a Sterically Crowded Cycloheptatriene Derivative via Norcaradienyloxyl Radicals

  摘要：

  An extremely crowded cycloheptatriene derivative, 1,3,5-tri-tert-butyl-7-(9-phenyl-9-fluorenyl)-1,3,5-cycloheptatriene (1), underwent autoxidation at 25 degrees C in cyclohexane to give 4-tert-butyl-2-pivaloylphenol (3) (33%), 5-tert-butyl-2-pivaloylphenol (4) (11%), 1,3,5-tri-tert-butylbenzene (5) (5%), tert-butyl 9-phenyl-9-fluorenyl peroxide (6) (44%), bis(9-phenyl-9-fluorenyl) peroxide (7) (7%), 1,1',3,3',5,5'-hexa-tert-butyl-7,7'-bicycloheptatriene (8) (2%), and carbon monoxide (4%). ESR studies showed that 1 dissociates into 1,3,5-tri-tert-butyltropyl radical (II) and 9-phenylfluorenyl radical (12) at 25-85 degrees C. The enthalpy and entropy of dissociation were determined to be 23.3 kcal/mol and 22.0 cal/mol . K, respectively. The formation of 3-5 can be explained by a mechanism involving attack of molecular oxygen to 11 and subsequent valence tautomerism of cycloheptatrienyloxyl radicals to norcaradienyloxyl radicals.

  DOI：

  10.1021/jo961321p

文献信息

• Photo-Fries rearrangement in flow under aqueous micellar conditions
  作者：Chia-Chen Chien、Shih-Chieh Kao、Chun-Jen Chen、Yen-Ku Wu

  DOI：10.1039/d0cc07331h

  日期：——

  A flow edition of photo-Fries rearrangement for the synthesis of 2-acylphenols in an aqueous micellar medium has been described. We take advantage of a narrow channel reactor and micelle-induced confinement effect to refine both the efficiency and selectivity of the parent photoreaction.

  已经描述了在水性胶束介质中合成2-酰基苯酚的光-弗里斯重排的流程版。我们利用窄通道反应器和胶束诱导的限制效应来完善母体光反应的效率和选择性。
• Light absorber and organic electroluminescence device including the same
  申请人：Samsung Display Co., Ltd.

  公开号：US11158809B2

  公开（公告）日：2021-10-26

  Provided is an organic electroluminescence device provided with a light absorber represented by Formula 1 below, and a light absorbing layer including the same. In Formula 1, Ar is pyrene, chrysene, or anthracene, and Y is a hydrogen atom or a substituent, and X is represented by any one of Formula 2-1 to 2-3 below.

  本发明提供了一种有机电致发光器件，该器件具有如下式 1 所表示的光吸收剂以及包括该吸收剂的光吸收层。在式 1 中，Ar 是芘、菊烯或蒽，Y 是氢原子或取代基，X 由下式 2-1 至 2-3 中的任意一个表示。
• LIGHT ABSORBER AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：US20190131532A1

  公开（公告）日：2019-05-02

  Provided is an organic electroluminescence device provided with a light absorber represented by Formula 1 below, and a light absorbing layer including the same. In Formula 1, Ar is pyrene, chrysene, or anthracene, and Y is a hydrogen atom or a substituent, and X is represented by any one of Formula 2-1 to 2-3 below.