5-Methyl-2-Trifluoromethyloxazole | 157984-61-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Methyl-2-Trifluoromethyloxazole
• 英文别名: Oxazole, 5-methyl-2-(trifluoromethyl)-；5-methyl-2-(trifluoromethyl)-1,3-oxazole
• CAS: 157984-61-7
• 化学式: C₅H₄F₃NO
• 分子量: 151.088
• InChiKey: GERMYLFBUOHPHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  氨基丙酮盐酸盐 、 三氟乙酸酐 在 二氯甲烷 、 三氯氧磷 、 水 、 乙醚 、 magnesium sulfate 、 碳酸氢钠 作用下， 以 苯 为溶剂， 40.0~110.0 ℃ 、3.6 MPa 条件下， 反应 5.5h， 以to obtain 1.75 g (9 percent of theory) of the title compound as a colorless oil的产率得到5-Methyl-2-Trifluoromethyloxazole
  参考文献：
  名称：

  3,4,N-trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their

  摘要：

  本发明涉及3,4-二取代-4,5-二氢-1H-吡唑-1-羧酰胺化合物，其中4-位取代基是一个含有一个环氧或硫原子和一个或两个环氮原子的5-成员杂环环基，而3-位置和N-位置的取代基是可选的苯基基团，例如4,5-二氢-3-(4-氟苯基)-N-(4-三氟甲基苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑-1-羧酰胺是由适当的3,4-二取代-4,5-二氢-1H-吡唑化合物制备而成，例如4,5-二氢-3-(4-氟苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑和苯基异氰酸酯和异硫氰酸酯，例如4-(三氟甲基)苯基异氰酸酯。这些化合物具有杀虫作用。

  公开号：

  US05418247A1

文献信息

• 3,4,N-trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their
  申请人：DowElanco

  公开号：US05418247A1

  公开（公告）日：1995-05-23

  3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamide compounds wherein the substituent in the 4-position is a 5-membered heterocyclic ring moiety containing one ring oxygen or sulfur atom and one or two ring nitrogen atoms and the substituents in the 3-posit ion and the N-position are optionally substituted phenyl moieties, such as 4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(2-trifluorom ethyl-5-thiazolyl)-1H-pyrazole-1-carboxamide were prepared from appropriate 3,4-disubstituted-4,5-dihydro-1H-pyrazole compounds, such as 4,5-dihydro-3-(4-fluorophenyl)-4-(2-trifluoromethyl-5-thiazolyl)-1H-pyrazo le and phenyl is ocyanates and isothiocyanates, such as 4-(trifluoromethyl)phenyl isocyanate. The compounds are insecticidal.

  本发明涉及3,4-二取代-4,5-二氢-1H-吡唑-1-羧酰胺化合物，其中4-位取代基是一个含有一个环氧或硫原子和一个或两个环氮原子的5-成员杂环环基，而3-位置和N-位置的取代基是可选的苯基基团，例如4,5-二氢-3-(4-氟苯基)-N-(4-三氟甲基苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑-1-羧酰胺是由适当的3,4-二取代-4,5-二氢-1H-吡唑化合物制备而成，例如4,5-二氢-3-(4-氟苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑和苯基异氰酸酯和异硫氰酸酯，例如4-(三氟甲基)苯基异氰酸酯。这些化合物具有杀虫作用。
• 3,4-disubstituted-4,5-dihydro-1H-pyrazoles and a method of preparation
  申请人：DowElanco

  公开号：US05324837A1

  公开（公告）日：1994-06-28

  3,4-Diaryl-4,5-dihydro-1H-pyrazole compounds having a selected 5- or 6-membered aromatic heterocyclic moiety in the 4-position and an optionally substituted phenyl moiety in the 3-position, such as 4,5-dihydro-3-(4-fluorophenyl)-4-(5-trifluoromethyl-2-pyridinyl)-1H-pyrazo le were prepared as intermediates in the preparation of insecticidal 3,4,N-triaryl-4,5-dihydro-1H-pyrazole-1-carboxamide compounds. The 3,4-diaryl-4,5-dihydro-1H-pyrazole compounds can be prepared from appropriate 1,2-diarylethanone compounds by successive treatments with N,N,N',N'-tetramethyldiaminomethane in dichloromethane in the presence of acetic anhydride (to form a Mannich adduct) and hydrazine in the presence of a catalytic amount of trifluoroacetic acid.

  制备了具有选择的5-或6-成员芳香杂环基在4位和可选取代苯基在3位的3,4-二芳基-4,5-二氢-1H-吡唑化合物，例如4,5-二氢-3-(4-氟苯基)-4-(5-三氟甲基-2-吡啶基)-1H-吡唑，作为杀虫剂3,4,N-三芳基-4,5-二氢-1H-吡唑-1-羧酰胺化合物的中间体。这些3,4-二芳基-4,5-二氢-1H-吡唑化合物可以从适当的1,2-二芳基乙酮化合物中经过连续处理制备而成，处理方法为在乙二氯甲烷中加入N,N,N',N'-四甲基二氨基甲烷和乙酸酐（形成Mannich加合物），在三氟乙酸的催化下加入肼。
• 3,4-N,trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their
  申请人：DowElanco

  公开号：US05338856A1

  公开（公告）日：1994-08-16

  3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamide compounds wherein the substituent in the 4-position is a 5-membered heterocyclic ring moiety containing one ring oxygen or sulfur atom and one or two ring nitrogen atoms and the substituents in the 3-position and the N-position are optionally substituted phenyl moieties, such as 4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(2-trifluorom ethyl-5-thiazolyl)-1H-pyrazole-1-carboxamide were prepared from appropriate 3,4-disubstituted-4,5-dihydro-1H-pyrazole compounds, such as 4,5-dihydro-3-(4-fluorophenyl)-4-(2-trifluoromethyl-5-thiazolyl)-1H-pyrazo le and phenyl isocyanates and isothiocyanates, such as 4-(trifluoromethyl)phenyl isocyanate. The compounds are insecticidal.

  这是一段化学文本，翻译如下： 制备了3,4,N-三取代-4,5-二氢-1H-吡唑-1-羧酰胺化合物，其中4-位取代基是一个含有一个环氧或硫原子和一个或两个环氮原子的5-成员杂环环基，3-位和N-位的取代基是可选的取代苯基，例如4,5-二氢-3-(4-氟苯基)-N-(4-三氟甲基苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑-1-羧酰胺，从适当的3,4-二取代-4,5-二氢-1H-吡唑化合物，例如4,5-二氢-3-(4-氟苯基)-4-(2-三氟甲基-5-噻唑基)-1H-吡唑和苯基异氰酸酯和异硫氰酸酯，例如4-(三氟甲基)苯基异氰酸酯。这些化合物具有杀虫作用。