5-acetamido-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylthiopyrazole | 120068-03-3

• 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-acetamido-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylthiopyrazole
• 英文别名: 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)-5-(acetylamino)-1H-pyrazole-3-carbonitrile；N-[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazol-3-yl]acetamide
• CAS: 120068-03-3
• 化学式: C₁₄H₆Cl₂F₆N₄OS
• 分子量: 463.19
• InChiKey: DSKGJEFPZZNIKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-acetamido-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylthiopyrazole 以 氯仿 为溶剂， 生成 5-Acetamido-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethanesulphonylpyrazole
  参考文献：
  名称：

  Derivative of a N-phenylpyrazole

  摘要：

  公开号：

  EP0295117B1
• 作为产物：
  描述：

  乙酰氯 、 氟虫腈 在 dimethylammonium 4-methylbenzenesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以35%的产率得到5-acetamido-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylthiopyrazole
  参考文献：
  名称：

  Anion recognition by a novel Fipronil-based receptor: efficient deprotonation or stable intermolecular hydrogen bonding

  摘要：

  Strong electron-deficient heterocycles of acetyl Fipronil (F3) was designed and synthesized, its ability for anion recognition was investigated by UV and NMR analyses. This novel Fipronil-based receptor F3 shows strong binding affinity with acetate ( >= 10(7) M-1), phosphate or fluoride ion through efficient deprotonation. In addition, its interaction with chloride anion or other weak base anions through stable intermolecular H-bonding was also reported. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.10.155

文献信息

• Derivatives of N-phenylpyrazoles
  申请人：——

  公开号：US05232940A1

  公开（公告）日：1993-08-03

  N-Phenylpyrazole derivatives of the formula: ##STR1## wherein R.sup.1 represents cyano, nitro, halogen, acetyl or formyl; R.sup.2 represents R.sup.5 SO.sub.2, R.sup.5 SO or R.sup.5 S in which R.sup.5 is optionally halogen substituted alkyl, alkenyl or alkynyl; R.sup.3 represents a hydrogen atom or a group NR.sup.6 R.sup.7 wherein R.sup.6 and R.sup.7 each represent hydrogen, alkyl, alkenylalkyl, alkynylalkyl, formyl, optionally halogen substituted alkanoyl, optionally halogen substituted alkoxycarbonyl, or alkoxymethyleneamino, halogen, or R.sup.6 and R.sup.7 together form a cyclic imide and R.sup.4 represents a substituted phenyl group possess arthropodicidal, plant nematocidal, anthelmintic and anti-protozoal properties; their preparation, compositions containing them and their use are described.

  N-苯基吡唑衍生物的化学式为：##STR1## 其中R.sup.1代表氰基，硝基，卤素，乙酰基或甲酰基；R.sup.2代表R.sup.5 SO.sub.2，R.sup.5 SO或R.sup.5 S，其中R.sup.5可选择地被卤素取代的烷基，烯基或炔基；R.sup.3代表氢原子或基团NR.sup.6 R.sup.7，其中R.sup.6和R.sup.7各自代表氢，烷基，烯基烷基，炔基烷基，甲酰基，可选择地被卤素取代的烷酰基，可选择地被卤素取代的烷氧羰基，或烷氧亚甲基氨基，卤素，或R.sup.6和R.sup.7一起形成环状亚酰胺，R.sup.4代表取代苯基团，具有杀虫，植物线虫，驱虫和抗原虫药物性质；描述了它们的制备，含有它们的组合物以及它们的用途。
• COMPOSITIONS AND USES THEREOF FOR CONTROLLING ECTOPARASITES IN NON-HUMAN MAMMALS
  申请人：Ceva Santé Animale

  公开号：EP3120846A1

  公开（公告）日：2017-01-25

  The invention relates to novel veterinary compositions comprising an effective amount of a neonicotinoid compound and an effective amount of a N-arylpyrazole compound. The invention also relates to the use of such compositions for controlling ectoparasites in a non-human mammal.

  本发明涉及新型兽用组合物，该组合物包含有效量的新烟碱化合物和有效量的 N-芳基吡唑化合物。本发明还涉及使用此类组合物控制非人类哺乳动物的体外寄生虫。
• METHODS FOR CONTROLLING ECTOPARASITES IN NON-HUMAN MAMMALS
  申请人：Ceva Santé Animale

  公开号：EP3259990A1

  公开（公告）日：2017-12-27

  The present invention relates to novel methods of treatment in the field of veterinary medicine, particularly methods for controlling ectoparasites in non-human mammals.

  本发明涉及兽医领域的新型治疗方法，特别是控制非人类哺乳动物体外寄生虫的方法。
• Compositions and uses thereof for controlling ectoparasites in non-human mammals
  申请人：Ceva Santé Animale

  公开号：US11134685B2

  公开（公告）日：2021-10-05

  The invention relates to novel veterinary compositions comprising an effective amount of a neonicotinoid compound and an effective amount of a N-arylpyrazole compound. The invention also relates to the use of such compositions for controlling ectoparasites in a non-human mammal.

  本发明涉及新型兽用组合物，该组合物包含有效量的新烟碱化合物和有效量的 N-芳基吡唑化合物。本发明还涉及使用此类组合物控制非人类哺乳动物的体外寄生虫。
• Anthelmintic compositions
  申请人：Bruce Ian Christopher

  公开号：US20060105969A1

  公开（公告）日：2006-05-18

  Combinations of avermectins and milbemycins and their derivatives with bis-aryl compounds and their use in combating parasite, especially helminth, infections.

  阿维菌素和米贝菌素及其衍生物与双芳基化合物的组合及其在防治寄生虫（尤其是蠕虫）感染中的应用。