4-ethyl-4-methyl-3-oxohexanenitrile oxime | 151331-59-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-ethyl-4-methyl-3-oxohexanenitrile oxime
• 英文别名: 4-Ethyl-3-hydroxyimino-4-methylhexanenitrile；4-ethyl-3-hydroxyimino-4-methylhexanenitrile
• CAS: 151331-59-8
• 化学式: C₉H₁₆N₂O
• 分子量: 168.239
• InChiKey: TWXKVFNJEUGWQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  294.4±23.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-ethyl-4-methyl-3-oxohexanenitrile oxime 在 盐酸 作用下， 反应 1.5h， 以91%的产率得到3-(1-乙基-1-甲基丙基)-5-异噁唑胺
  参考文献：
  名称：

  Soil metabolism of the herbicide isoxaben in winter wheat crops

  摘要：

  Winter wheat fields were treated wi th the herbicide isoxaben after sowing. Trials were made in 1990-1991 and 1991-1992. The main isoxaben soil metabolite was demethoxyisoxaben (N-[3-(1-ethyl-1-methylpropyl)isoxazol-5-yl]-2-hydroxy-6-methoxybenzamide), i.e., the monodemethoxylation product of isoxaben. 5-Isoxazolone(3-(1-ethyl-1-methylpropyl)isoxazolin-5-one) was the second main isoxaben metabolite. When 5-aminoisoxazole(5-amino-3-(1-ethyl-1-methylpropyl)isoxazole) was detected in soil, it always was at very low concentrations. It never accumulated in soil; 4 months before winter wheat harvest, it could not be detected in soil. Benzamides 2,6-dimethoxybenzamide and 2-hydroxy-6-methoxybenzamide and 2,6-dimethoxybenzoic acid also were detected in soil. Organic fertilizer treatments increased isoxaben soil persistence. At the crop's end, their effects, however, progressively disappeared, the soil residues of isoxaben and of its metabolites becoming very low and similar in the organic fertilizer treated and untreated plots. 5-Aminoisoxazole was not detected. This work thus indicated that isoxaben was soil-metabolized into nontoxic products, unable to generate toxic ones, during the wheat crops whose soil had been treated or not treated with organic fertilizers.

  DOI：

  10.1021/jf00035a060
• 作为产物：
  描述：

  2-乙基丁酸 在 sodium hydroxide 、 氯化亚砜 、 盐酸羟胺 、 lithium diisopropyl amide 作用下， 以 乙醇 为溶剂， 反应 23.33h， 生成 4-ethyl-4-methyl-3-oxohexanenitrile oxime
  参考文献：
  名称：

  Soil metabolism of the herbicide isoxaben in winter wheat crops

  摘要：

  Winter wheat fields were treated wi th the herbicide isoxaben after sowing. Trials were made in 1990-1991 and 1991-1992. The main isoxaben soil metabolite was demethoxyisoxaben (N-[3-(1-ethyl-1-methylpropyl)isoxazol-5-yl]-2-hydroxy-6-methoxybenzamide), i.e., the monodemethoxylation product of isoxaben. 5-Isoxazolone(3-(1-ethyl-1-methylpropyl)isoxazolin-5-one) was the second main isoxaben metabolite. When 5-aminoisoxazole(5-amino-3-(1-ethyl-1-methylpropyl)isoxazole) was detected in soil, it always was at very low concentrations. It never accumulated in soil; 4 months before winter wheat harvest, it could not be detected in soil. Benzamides 2,6-dimethoxybenzamide and 2-hydroxy-6-methoxybenzamide and 2,6-dimethoxybenzoic acid also were detected in soil. Organic fertilizer treatments increased isoxaben soil persistence. At the crop's end, their effects, however, progressively disappeared, the soil residues of isoxaben and of its metabolites becoming very low and similar in the organic fertilizer treated and untreated plots. 5-Aminoisoxazole was not detected. This work thus indicated that isoxaben was soil-metabolized into nontoxic products, unable to generate toxic ones, during the wheat crops whose soil had been treated or not treated with organic fertilizers.

  DOI：

  10.1021/jf00035a060

文献信息

• Soil metabolism of the herbicide isoxaben in winter wheat crops
  作者：Jean. Rouchaud、Fabrice. Gustin、Dany. Callens、Michel. Van Himme、Robert. Bulcke

  DOI：10.1021/jf00035a060

  日期：1993.11

  Winter wheat fields were treated wi th the herbicide isoxaben after sowing. Trials were made in 1990-1991 and 1991-1992. The main isoxaben soil metabolite was demethoxyisoxaben (N-[3-(1-ethyl-1-methylpropyl)isoxazol-5-yl]-2-hydroxy-6-methoxybenzamide), i.e., the monodemethoxylation product of isoxaben. 5-Isoxazolone(3-(1-ethyl-1-methylpropyl)isoxazolin-5-one) was the second main isoxaben metabolite. When 5-aminoisoxazole(5-amino-3-(1-ethyl-1-methylpropyl)isoxazole) was detected in soil, it always was at very low concentrations. It never accumulated in soil; 4 months before winter wheat harvest, it could not be detected in soil. Benzamides 2,6-dimethoxybenzamide and 2-hydroxy-6-methoxybenzamide and 2,6-dimethoxybenzoic acid also were detected in soil. Organic fertilizer treatments increased isoxaben soil persistence. At the crop's end, their effects, however, progressively disappeared, the soil residues of isoxaben and of its metabolites becoming very low and similar in the organic fertilizer treated and untreated plots. 5-Aminoisoxazole was not detected. This work thus indicated that isoxaben was soil-metabolized into nontoxic products, unable to generate toxic ones, during the wheat crops whose soil had been treated or not treated with organic fertilizers.