4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(5-trifluoromethyl-2-pyridyl)-1H-pyrazole-1-carboxamide | 145833-95-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(5-trifluoromethyl-2-pyridyl)-1H-pyrazole-1-carboxamide
• 英文别名: 4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(5-trifluoromethyl-2-pyridinyl)-1H-pyrazole-1-carboxamide；5-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]-3,4-dihydropyrazole-2-carboxamide
• CAS: 145833-95-0
• 化学式: C₂₃H₁₅F₇N₄O
• 分子量: 496.387
• InChiKey: SWKRPZVNIWCHGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-氟-5-三氟甲基吡啶 在 sodium hydride 作用下， 以 二氯甲烷 、 二甲基亚砜 、 三氟乙酸 为溶剂， 反应 18.17h， 生成 4,5-dihydro-3-(4-fluorophenyl)-N-(4-trifluoromethylphenyl)-4-(5-trifluoromethyl-2-pyridyl)-1H-pyrazole-1-carboxamide
  参考文献：
  名称：

  Process Optimization and Synthesis of 3-(4-Fluorophenyl)-4,5-dihydro-N-[4-(tri- fluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazole-1-carboxamide

  摘要：

  DOI：

  10.1021/op025619v

文献信息

• 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides
  申请人：DOWELANCO

  公开号：EP0508469A1

  公开（公告）日：1992-10-14

  3,4,N-Triaryl-4,5-dihydro-1H-pyrazole-1-carboxamide compounds having an aryl moiety in the 4-position that is an optionally substituted pyridinyl, pyrimidinyl, pyridazinyl, pyrazinyl, or quinolinyl moiety and aryl moieties in the 3-position and the N-position that are optionally substituted phenyl, pyridinyl, pyrimidinyl, pyridazinyl, pyrazinyl, or quinolinyl moieties, such as N-(4-chlorophenyl)-4,5-dihydro-3-(4-fluorophenyl)-4-(5-trifluoromethyl-2-pyridinyl)-1H-pyrazole-1-carboxamide, were prepared and found to possess insecticidal utility. 1,2-Diarylethanone compounds were converted to 1,2-diaryl-2-propen-1-one compounds by treatment with bis(dimethylamino)methane, the 1,2-diaryl-2-propen-1-one compounds were converted to 3,4-diaryl-4,5-dihydro-1H-pyrazole compounds by treatment with hydrazine, and the 3,4-diaryl-4,5-dihydro-1H-pyrazole compounds were converted to the insecticidal subject compounds by treatment with an aryl isocyanate.

  3,4,N-三芳基-4,5-二氢-1H-吡唑-1-甲酰胺化合物，其 4 位上的芳基是任选取代的吡啶基、嘧啶基、哒嗪基、吡嗪基或喹啉基，3 位和 N 位上的芳基是任选取代的苯基、制备了 N-(4-氯苯基)-4,5-二氢-3-(4-氟苯基)-4-(5-三氟甲基-2-吡啶基)-1H-吡唑-1-甲酰胺等具有杀虫功效的化合物。1,2-Diarylethanone 化合物经双（二甲基氨基）甲烷处理后转化为 1,2-diaryl-2-propen-1-one 化合物，1,2-diaryl-2-propen-1-one 化合物经肼处理后转化为 3,4-diaryl-4,5-dihydro-1H-pyrazole 化合物，3,4-diaryl-4,5-dihydro-1H-pyrazole 化合物经芳基异氰酸酯处理后转化为杀虫主题化合物。
• JPH0625225A
  申请人：——

  公开号：JPH0625225A

  公开（公告）日：1994-02-01
• US5250532A
  申请人：——

  公开号：US5250532A

  公开（公告）日：1993-10-05
• US5493024A
  申请人：——

  公开号：US5493024A

  公开（公告）日：1996-02-20
• Process Optimization and Synthesis of 3-(4-Fluorophenyl)-4,5-dihydro-<i>N</i>-[4-(tri- fluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1<i>H</i>-pyrazole-1-carboxamide
  作者：James M. Renga、Kevin L. McLaren、Michael J. Ricks

  DOI：10.1021/op025619v

  日期：2003.5.1