4-(2-乙基-6-甲基苯基)-5-甲基吗啉-3-酮 | 120375-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(2-乙基-6-甲基苯基)-5-甲基吗啉-3-酮
• 中文别名: 4-(2-乙基-6-甲基苯基)-5-甲基-3-吗啉酮
• 英文名称: 4-(2-ethyl-6-methylphenyl)-5-methyl-3-morpholinone
• 英文别名: metolachlor morpholinone；4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
• CAS: 120375-14-6
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: DVBDYPDVNRJKNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丙甲草胺 在 盐酸 作用下， 生成 4-(2-乙基-6-甲基苯基)-5-甲基吗啉-3-酮
  参考文献：
  名称：

  相邻酰胺基参与竞争性酸催化的醚键水解和分子内S N 2反应。2个

  摘要：

  使底物1经受酸水解，并且在竞争反应（平行途径）中获得两种反应产物（2，3）。通过使用平行的一级反应的表达式详细说明的实验数据显示，形成3（分子内环化）的速度比2（先前观察到的醚键的水解裂解）慢约三倍。两个反应似乎都由质子化的邻近酰胺基团辅助。

  DOI：

  10.1016/s0040-4020(97)00662-5

文献信息

• Photodegradation of Metolachlor in Water in the Presence of Soil Mineral and Organic Constituents
  作者：Regi Mathew、Shahamat U. Khan

  DOI：10.1021/jf960123w

  日期：1996.1.1

  Photodegradation of metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)--acetamide] at 253.7 nm was carried out in water containing soil minerals (kaolinite, montmorillonite, and goethite) and fulvic acid under two different pH conditions. The rate of photolysis was dependent on the nature of the soil constituents and the initial pH of the medium. Based on the regression analysis, it was shown that the photodegradation followed the first-order kinetics with respect to the metolachlor concentration, and the half-life of the herbicide under UV irradiation was longer in the absence of soil constituents. Hydroxylation, dehalogenation, oxoquinoline formation, and demethylation were the main processes observed during the photolysis of metolachlor. More degradation products were formed in the presence of kaolinite, montmorillonite, and goethite than with fulvic acid and water alone. The major degradation product formed under UV irradiation in all the treatments was identified as 4-(2-ethyl-6-methylphenyl)-5-methyl-3-morpholine.
• Kochany Jan, Maguire R. James, J. Agr. and Food Chem., 42 (1994) N 2, S 406-412
  作者：Kochany Jan, Maguire R. James

  DOI：——

  日期：——
• Participation of neighbouring amide group in the competitive acid catalysed hydrolysis of ether linkage and an intramolecular SN2 reactions. 2
  作者：Antonio Arcelli、Matteo Papa、Gianni Porzi、Sergio Sandri

  DOI：10.1016/s0040-4020(97)00662-5

  日期：1997.7

  The substrate 1 was submitted to acid hydrolysis and two reaction products (2,3) were obtained in competitive reactions (a parallel pathway). The experimental data, elaborated by using the expressions for the parallel first-order reactions, showed the formation of 3 (an intramolecular cyclization) about three-fold slower than 2 (the previously observed hydrolytic cleavage of ether linkage). Both the

  使底物1经受酸水解，并且在竞争反应（平行途径）中获得两种反应产物（2，3）。通过使用平行的一级反应的表达式详细说明的实验数据显示，形成3（分子内环化）的速度比2（先前观察到的醚键的水解裂解）慢约三倍。两个反应似乎都由质子化的邻近酰胺基团辅助。