3-Methyl-4-aminophenyl potassium sulfate | 139564-46-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 3-Methyl-4-aminophenyl potassium sulfate
• 英文别名: potassium;(4-amino-3-methylphenyl) sulfate
• CAS: 139564-46-8
• 化学式: C₇H₈NO₄S*K
• 分子量: 241.309
• InChiKey: QKDUMOXUWIZARW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.58
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.45
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-Methyl-4-nitrophenyl potassium sulfate 生成 3-Methyl-4-aminophenyl potassium sulfate
  参考文献：
  名称：

  The ortho-para ratio and the intermediate in the persulfate oxidation of aromatic amines (the Boyland-Sims oxidation)

  摘要：

  The previous belief that the persulfate oxidation of aromatic amines gives the o-sulfate exclusively is untrue; substantial quantities of the para isomer are produced. Kinetic studies on 2,4- and 2,6-disubstituted aromatic amines show that the rate of reaction with persulfate is nearly the same for both isomers. The probable intermediate in this reaction is the arylhydroxylamine-O-sulfonate. This was demonstrated by showing that the reaction between N,N-dimethylaniline N-oxide and the sulfur trioxide-pyridine complex gives material which rearranges to a mixture of N,N-dimethylaniline o- and p-sulfates in the same ratio as is given by the persulfate oxidation of N,N-dimethylaniline. The ortho-para ratio is unaffected by dilution. This leads to the conclusion that the degree of intramolecularity of the rearrangement is the same for the formation of both the ortho and para isomers.

  DOI：

  10.1021/jo00034a016