2-Methylthio-N-(2,6-diethylphenyl)acetamide | 70648-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Methylthio-N-(2,6-diethylphenyl)acetamide
• 英文别名: N-(2,6-Diethylphenyl)-2-(methylsulfanyl)acetamide；N-(2,6-diethylphenyl)-2-methylsulfanylacetamide
• CAS: 70648-89-4
• 化学式: C₁₃H₁₉NOS
• 分子量: 237.366
• InChiKey: DSDGHFQEDCWMSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二乙基苯胺 、 (methylthio)acetyl chloride 在 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 生成 2-Methylthio-N-(2,6-diethylphenyl)acetamide
  参考文献：
  名称：

  Metabolites of Alachlor in Water:  Identification by Mass Spectrometry and Chemical Synthesis

  摘要：

  This biodegradation study of alachlor in water was designed to assess the presence and the identity of metabolites. Alachlor was incubated in river water for 28 days. The pesticide and its transformation products were extracted by solid phase extraction and analyzed by gas chromatography/mass spectrometry. Selected samples were also analyzed by liquid chromatography/mass spectrometry. The disappearance of the pesticide was not significative, but several compounds were identified as alachlor metabolites. Nine compounds were confirmed by comparison with synthetic standards. One metabolite has never been reported. For seven molecules, formulae were presumed on the basis of spectrum interpretation and literature data.

  DOI：

  10.1021/es970380x

文献信息

• Metabolites of Alachlor in Water:  Identification by Mass Spectrometry and Chemical Synthesis
  作者：S. Mangiapan、E. Benfenati、P. Grasso、M. Terreni、M. Pregnolato、G. Pagani、D. Barceló

  DOI：10.1021/es970380x

  日期：1997.12.1

  This biodegradation study of alachlor in water was designed to assess the presence and the identity of metabolites. Alachlor was incubated in river water for 28 days. The pesticide and its transformation products were extracted by solid phase extraction and analyzed by gas chromatography/mass spectrometry. Selected samples were also analyzed by liquid chromatography/mass spectrometry. The disappearance of the pesticide was not significative, but several compounds were identified as alachlor metabolites. Nine compounds were confirmed by comparison with synthetic standards. One metabolite has never been reported. For seven molecules, formulae were presumed on the basis of spectrum interpretation and literature data.