4,4'-dimethylbenzophenone radical | 91150-42-4

• 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: 4,4'-dimethylbenzophenone radical
• CAS: 91150-42-4
• 化学式: C₁₅H₁₅O
• 分子量: 211.284
• InChiKey: BOCDIWMXJAUZEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4'-dimethylbenzophenone radical 在 azomethine-H monosodium salt 作用下， 以 异丙醇 为溶剂， 生成 4,4'-二甲基二苯甲酮
  参考文献：
  名称：

  Study of the mechanism of the photoreduction of azomethine dyes sensitized by carbonyl compounds

  摘要：

  DOI：

  10.1007/bf00961974
• 作为产物：
  描述：

  C₁₆H₁₅O₃*C₁₂H₁₄N₂⁽¹⁺⁾ 以 水 为溶剂， 生成 4,4'-dimethylbenzophenone radical
  参考文献：
  名称：

  Direct Observation of Carbon−Carbon Bond Cleavage in Ultrafast Decarboxylations

  摘要：

  DOI：

  10.1021/ja960112j

文献信息

• Picosecond Dynamics of Nonadiabatic Proton Transfer:  A Kinetic Study of Proton Transfer within the Contact Radical Ion Pair of Substituted Benzophenones/<i>N</i>,<i>N</i>-Dimethylaniline
  作者：Kevin S. Peters、Amanda Cashin、Peter Timbers

  DOI：10.1021/ja991604+

  日期：2000.1.1

  the dynamics of proton transfer within substituted benzophenones/N,N-dimethylaniline contact radical ion pairs. The reactions were investigated in the solvents cyclohexane, benzene, and dimethylformamide. The correlation of the reaction rates with the change in free energy reveals that the reaction pathway corresponds to a nonadiabatic process, that is the reaction proceeds by proton tunneling. In nonpolar

  皮秒吸收光谱已被用于研究取代二苯甲酮/N,N-二甲基苯胺接触自由基离子对内的质子转移动力学。在溶剂环己烷、苯和二甲基甲酰胺中研究反应。反应速率与自由能变化的相关性表明反应途径对应于非绝热过程，即反应通过质子隧穿进行。在非极性溶剂中，在质子转移过程中观察到“反转区域”。
• Atomic Force Microscopy of Photochemistry of 4,4′-Dimethylbenzophenone in the Solid State
  作者：Qingdao Zeng、Chen Wang、Chunli Bai

  DOI：10.1246/cl.1999.1261

  日期：1999.12

  The formation of regular nanostructures by photodimerization of 4,4′-dimethylbenzophenone (1) through intermolecular hydrogen abstraction, is investigated using atomic force microscopy (AFM) and known crystal packing data. AFM reveals that the crystal face (001) of 1 exhibits volcanoes. All the experimental results are correlated with the crystal structure. Molecular interpretation of the AFM features of 1 is given.

  利用原子力显微镜（AFM）和已知的晶体堆积数据，研究了 4,4′-二甲基二苯甲酮（1）通过分子间氢抽取的光二聚作用形成规则的纳米结构。原子力显微镜显示，1 的晶面（001）呈现火山状。所有实验结果都与晶体结构相关联。对 1 的原子力显微镜特征给出了分子解释。
• Hydrogen transfer from ketyl radicals to nitroxyl radicals
  作者：A. S. Tatikolov、V. I. Sklyarenko、V. A. Kuz'min

  DOI：10.1007/bf00961676

  日期：1990.5

  The transfer of an H atom from a ketyl radical (KR) to a nitroxyl radical is the sole reaction occurring between benzophenone or acetone KR and nitroxyl radicals (NR). The rate constants (k(H)) of the reaction of the KR of substituted benzophenones with the NR - 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl and 4-oxo-2,2,6,6-tetramethylpiperidine-1-oxyl in various solvents were measured by the pulse photolysis method. In low-viscosity solvents (up to 1-2 cP), the values of k(H) are not limited by the diffusion of the reagents. The k(H) values decrease with increase in the Hammet's sigma-constants of the substituents in the KR and with decrease in the reduction potential of the NR, which indicates a charge transfer from the KR to NR in the transition state of the reaction. A cyclic structure was proposed for the transition state. The reaction is characterized by a low isotopic effect (k(H)/k(D) = 1.4-1.5). The dependence of log k(H) on the solvation parameter of the solvent E(t)(30) is V-shaped in character.