2,6-Dimethyl-4-p-tolylimino-cyclohexa-2,5-dienone

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,6-Dimethyl-4-p-tolylimino-cyclohexa-2,5-dienone
• 英文别名: 2,6-Dimethyl-4-[(4-methylphenyl)imino]cyclohexa-2,5-dien-1-one；2,6-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one
• 化学式: C₁₅H₁₅NO
• 分子量: 225.29
• InChiKey: GGDFEZIGYNLDND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二甲基-2,5-环己二烯-1,4-二酮 、 乙烷,三氯氟- 以 水 为溶剂， 反应 168.0h， 生成 2,6-Dimethyl-4-p-tolylimino-cyclohexa-2,5-dienone 、 2-(p-tolylamino)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Modeling the reactions of 1-naphthylamine and 4-methylaniline with humic acids: Spectroscopic investigations of the covalent linkages

  摘要：

  AbstractThe covalent binding of two aromatic amines, 1‐naphthylamine and 4‐methylaniline, to substituted quinones in aqueous solutions has been studied as a model for the covalent binding of amines to humic acids. An inline compound was the only type of product identified for the reactions between 1‐naphthylamine and selected quinones. Reactions of 4‐methylaniline with the same quinones gave a 1,4‐ addition product in addition to the imine compound, although only the imine product was formed when the quinone had bulky substituents at the 2‐ and 6‐ positions. These results provide additional insight into the reactions of aromatic amines with humic acid quinones.

  DOI：

  10.1002/etc.5620130401

文献信息

• Modeling the reactions of 1-naphthylamine and 4-methylaniline with humic acids: Spectroscopic investigations of the covalent linkages
  作者：Aloysius I. Ononye、John G. Graveel

  DOI：10.1002/etc.5620130401

  日期：1994.4

  AbstractThe covalent binding of two aromatic amines, 1‐naphthylamine and 4‐methylaniline, to substituted quinones in aqueous solutions has been studied as a model for the covalent binding of amines to humic acids. An inline compound was the only type of product identified for the reactions between 1‐naphthylamine and selected quinones. Reactions of 4‐methylaniline with the same quinones gave a 1,4‐ addition product in addition to the imine compound, although only the imine product was formed when the quinone had bulky substituents at the 2‐ and 6‐ positions. These results provide additional insight into the reactions of aromatic amines with humic acid quinones.