3-(1-乙基-1-甲基丙基)-5-异噁唑胺 | 82560-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(1-乙基-1-甲基丙基)-5-异噁唑胺
• 英文名称: 3-(1-ethyl-1-methylpropyl)isoxazol-5-ylamine
• 英文别名: 5-amino-3-(1-ethyl-1-methylpropyl)isoxazole；5-amino-3-(1-ethyl-1-methylpropyl)isoxazol；5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-；3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine
• CAS: 82560-06-3
• 化学式: C₉H₁₆N₂O
• mdl: MFCD02661244
• 分子量: 168.239
• InChiKey: DFDAEJDUOXMUQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  T
• 安全说明：
  S22,S26,S36/37/39,S45,S61
• 危险类别码：
  R52/53,R23/25,R41

反应信息

• 作为反应物：
  描述：

  3-(1-乙基-1-甲基丙基)-5-异噁唑胺 以 甲苯 为溶剂， 以91%的产率得到异噁酰草胺
  参考文献：
  名称：

  Benzamides, compositions and agricultural method

  摘要：

  含有氮杂环的N-芳基苯甲酰胺可作为选择性除草剂。揭示了含有新型苯甲酰胺的组合物以及一种选择性除草方法。

  公开号：

  US04416683A1
• 作为产物：
  描述：

  2-乙基丁酸 在 盐酸 、 sodium hydroxide 、 氯化亚砜 、 盐酸羟胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 正庚烷 、 水 为溶剂， 反应 20.33h， 生成 3-(1-乙基-1-甲基丙基)-5-异噁唑胺
  参考文献：
  名称：

  Rouchaud, J.; Gustin, F.; Moulard, C., Bulletin des Societes Chimiques Belges, 1993, vol. 102, # 8, p. 545 - 556

  摘要：

  DOI：

文献信息

• N-heterocyclic benzamides
  申请人：Eli Lilly and Company

  公开号：US04943634A1

  公开（公告）日：1990-07-24

  N-Aryl benzaimides wherein the aryl group is a nitrogen containing heterocycle are useful as selective herbicidal agents. Compositions containing the novel benzamides and a herbicidal method of selective weed control are disclosed.

  芳基苯并二酰亚胺中，芳基基团为含氮杂环，可用作选择性除草剂。本发明揭示了含有新型苯并二酰亚胺的组合物和一种选择性除草方法。
• Thiaiazolyl benzamides
  申请人：Eli Lilly and Company

  公开号：US04801718A1

  公开（公告）日：1989-01-31

  N-Aryl benzamides wherein the aryl group is a nitrogen containing heterocycle are useful as selective herbicidal agents. Compositions containing the novel benzamides and a herbicidal method of selective weed control are disclosed.

  芳基取代苯甲酰胺中，若芳基基团为含氮杂环，则可用作选择性除草剂。本发明揭示了含有新型苯甲酰胺的组合物以及一种选择性除草的方法。
• N-arylbenzamide derivatives
  申请人：ELI LILLY AND COMPANY

  公开号：EP0049071A1

  公开（公告）日：1982-04-07

  N-arylbenzamide derivatives of formula (I) wherein Z is oxygen or sulfur, R1,R2, R3 are hydrogen or a substituent, R4 is an heteroaryl group linked to the nitrogen atom by a carbon atom, selected from possibly substituted isoxazole, isothiazole, pyrazole, imidazole, thiadiazole, oxadiazole or pyridazine. These compounds can be used as herbicides.

  式(I)的 N-芳基苯甲酰胺衍生物 其中 Z 是氧或硫；R1、R2、R3 是氢或取代基；R4 是通过碳原子与氮原子相连的杂芳基，选自可能取代的异噁唑、异噻唑、吡唑、咪唑、噻二唑、噁二唑或哒嗪。 这些化合物可用作除草剂。
• 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.
• Rouchaud, J.; Gustin, F.; Moulard, C., Bulletin des Societes Chimiques Belges, 1993, vol. 102, # 8, p. 557 - 564
  作者：Rouchaud, J.、Gustin, F.、Moulard, C.、Plisnier, M.

  DOI：——

  日期：——