2-(4-methyl-3-nitrophenyl)propanoic acid | 1324002-60-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-(4-methyl-3-nitrophenyl)propanoic acid
• CAS: 1324002-60-9
• 化学式: C₁₀H₁₁NO₄
• 分子量: 209.202
• InChiKey: JJSUEUKZRBGTSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-甲基苯基)丙酸 在 硫酸 、 thiourea nitrate 作用下， 反应 5.0h， 生成 2-(4-methyl-3-nitrophenyl)propanoic acid
  参考文献：
  名称：

  The novel usage of thiourea nitrate in aryl nitration

  摘要：

  Thiourea nitrate (TN) was easily prepared from thiourea and nitric acid to explore its use as a new nitration reagent. Nitrations of various aromatic compounds utilizing TN in concentrated sulfuric acid were studied. TN could convert aromatic compounds to the corresponding nitrated derivatives with various abnormal yields under mild conditions. The results suggested that the reaction mechanism might be different from those of traditional nitration reagents. (C) 2013 Juan Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.09.003