4-Hydroxy-2-methyl-phenoxyl | 68825-68-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Hydroxy-2-methyl-phenoxyl
• CAS: 68825-68-3
• 化学式: C₇H₇O₂
• 分子量: 123.131
• InChiKey: IGUHKEPBZRCFDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.87
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  36.97
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  甲基苯醌 在 硫酸 作用下， 生成 4-Hydroxy-2-methyl-phenoxyl
  参考文献：
  名称：

  Bridges; Porter, Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 1958, vol. 244, p. 259,271

  摘要：

  DOI：

文献信息

• Paramagnetic Resonance of Methyl‐ and Chloro‐Substituted<i>p</i>‐Benzosemiquinones
  作者：Balu Venkataraman、Bernice G. Segal、George K. Fraenkel

  DOI：10.1063/1.1730073

  日期：1959.4

  Detailed measurements, made under conditions of high resolution, of the paramagnetic resonance spectra of the negative radical ions of all the methyl- and chloro-substituted p-benzosemiquinones are reported. All the spectra exhibited hyperfine structure which is accounted for in terms of interactions between the unpaired electron and all the protons in the radicals; no chlorine hyperfine splittings were observed. In some of the chlorine compounds anomalous lines, not attributable to the chloro-substituted p-benzosemiquinone ion, appeared; these presumably arise from radicals produced by side reactions. Microwave power saturation was encountered in all the spectra examined. Line widths of all the spectra were observed to depend markedly on the microwave power and on the concentration of the hydroquinone from which the semiquinone was prepared. Separations of the hyperfine components were measured to a high degree of accuracy and splitting constants for individual protons were calculated from the measurements using the method of least squares. Proton splitting constants ranged from a minimum of 1.714 gauss for the methyl group protons in 2,3-dimethyl semiquinone ion to a maximum of 2.595 gauss for the ring protons in that same compound. The variation of the splitting constants with chlorine and methyl group substitutions are shown to obey a nearly additive relation.