N-(2-乙基-6-甲基苯基)-2-羟基-N-(1-甲氧基丙烷-2-基)乙酰胺 | 131068-72-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-乙基-6-甲基苯基)-2-羟基-N-(1-甲氧基丙烷-2-基)乙酰胺
• 中文别名: 异丙甲草胺-2-羟基
• 英文名称: 2-hydroxy-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
• 英文别名: hydroxymetolachlor；N-(2-ethyl-6-methylphenyl)-2-hydroxy-N-(1-methoxypropan-2-yl)acetamide
• CAS: 131068-72-9
• 化学式: C₁₅H₂₃NO₃
• 分子量: 265.353
• InChiKey: YRHZCHBPHOEWCA-UHFFFAOYSA-N

物化性质

• 沸点：
  418.7±45.0 °C(Predicted)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异丙甲草胺 生成 N-(2-乙基-6-甲基苯基)-2-羟基-N-(1-甲氧基丙烷-2-基)乙酰胺
  参考文献：
  名称：

  Kochany Jan, Maguire R. James, J. Agr. and Food Chem., 42 (1994) N 2, S 406-412

  摘要：

  DOI：

文献信息

• Structural elucidation of metolachlor photoproducts by liquid chromatography/high-resolution tandem mass spectrometry
  作者：Édith Nicol、Christophe Genty、Stéphane Bouchonnet、Sophie Bourcier

  DOI：10.1002/rcm.7382

  日期：2015.12.15

  Metolachlor is one of the most intensively used chloroacetanilide herbicides in agriculture. It has been detected in water; consequently, under UV‐visible irradiation, it can be transformed in degradation products (TPs). The structures of TPs were elucidated by liquid chromatography/high‐resolution tandem mass spectrometry (LC/HR‐MS/MS). The potential toxicities of these TPs were estimated by in silico

  甲草胺是农业上使用最广泛的氯乙苯胺除草剂之一。已在水中检测到；因此，在紫外线可见辐射下，它可以转化为降解产物（TPs）。通过液相色谱/高分辨率串联质谱（LC / HR-MS / MS）阐明了TP的结构。这些TP的潜在毒性通过计算机测试估算。
• 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：——