5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2-trifluoromethylfuran-3-yl)pyrazole

• 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-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2-trifluoromethylfuran-3-yl)pyrazole
• 英文别名: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[2-(trifluoromethyl)furan-3-yl]pyrazole-3-carbonitrile
• 化学式: C₁₆H₆Cl₂F₆N₄O
• 分子量: 455.146
• InChiKey: CGWOSRYWCIGUDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(3-furanyl)pyrazole 、 Sodium Hydrosulfite, 85per cent 、 disodium;hydrogen phosphate 在 三氟溴甲烷 、 Sodium Hydrosulfite, 85per cent 、 disodium;hydrogen phosphate 、 乙醚 、 水 、 Sodium sulfate-III 、 silica gel 、 二氯甲烷 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 25.0~50.0 ℃ 、41.37 MPa 条件下， 反应 107.5h， 以gave 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2-trifluoromethylfuran-3yl)pyrazole as a white solid, m.p. 155-7° C.的产率得到5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2-trifluoromethylfuran-3-yl)pyrazole
  参考文献：
  名称：

  Parasiticidal compounds

  摘要：

  一种新的杀寄生虫的吡唑衍生物组已被发现。因此，根据本发明，提供了一种公式（I）的化合物，##STR1##

  公开号：

  US06069157A1

文献信息

• [EN] PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYL PYRAZOLES<br/>[FR] PROCEDE POUR LA PREPARATION D'ARYLPYRAZOLES SUBSTITUES
  申请人：PFIZER LTD

  公开号：WO2005023773A1

  公开（公告）日：2005-03-17

  The present invention relates to a process for the preparation of pesticidal compounds, and more particularly to the preparation of pyrazole compounds. In particular, the present invention relates to a process for preparing 1-arylpyrazoles and 1-pyridylpyrazoles which have pesticidal activity. More particularly, the present invention relates to a novel process by which 3,4,5­trisubstituted 1-arylpyrazoles may be produced directly in a reaction which involves coupling of an aryldiazonium species with an appropriately substituted precursor bearing a desired substituent.

  本发明涉及一种制备杀虫化合物的过程，更具体地涉及吡唑化合物的制备。具体来说，本发明涉及一种制备具有杀虫活性的1-芳基吡唑和1-吡啶基吡唑的过程。更具体地说，本发明涉及一种新颖的过程，通过该过程可以直接在涉及芳基重氮离子物种与带有所需取代基的适当取代前体之间的偶联反应中直接制备3,4,5-三取代的1-芳基吡唑。
• Process for the preparation of substituted aryl pyrazoles
  申请人：Gladwell Robert Iain

  公开号：US20050096354A1

  公开（公告）日：2005-05-05

  The present invention relates to a process for the preparation of pesticidal compounds, and more particularly to the preparation of pyrazole compounds. In particular, the present invention relates to a process for preparing 1-arylpyrazoles and 1-pyridylpyrazoles which have pesticidal activity. More particularly, the present invention relates to a novel process by which 3,4,5-trisubstituted 1-arylpyrazoles may be produced directly in a reaction which involves coupling of an aryldiazonium species with an appropriately substituted precursor bearing a desired substituent.

  本发明涉及一种制备杀虫化合物的过程，更特别地涉及制备吡唑化合物的过程。具体而言，本发明涉及制备具有杀虫活性的1-芳基吡唑和1-吡啶基吡唑的过程。更具体地，本发明涉及一种新的过程，通过在含有所需取代基的适当取代前体与芳基重氮离子物偶联的反应中直接制备3,4,5-三取代的1-芳基吡唑。
• 1-Phenyl-pyrazol derivatives and their use as parasiticidal agents
  申请人：Pfizer Limited

  公开号：EP0846686A1

  公开（公告）日：1998-06-10

  Compounds of formula (I), wherein R1 is H, C1-6 alkyl optionally substituted by one or more halogen atoms, halogen, CN, C1-6 alkoxycarbonyl optionally substituted by one or more halogen atoms, NO2, CHO, CONH2, CSNH2 or C1-6 alkanoyl optionally substituted by one or more halogen atoms; Ar is a ring "A" where "A" is a phenyl group, or "A" is a 5- or 6-membered heteroaryl group, or Ar is a fused bicyclic moiety "AB" where the "A" ring is as defined above and the "B" ring fused thereto in "AB" is a 5- or 6-membered saturated or partially or fully unsaturated carbocycle, or saturated or partially or fully unsaturated heterocycle R2 is H, halogen, C1-6 alkyl optionally substituted by one or more halogen atoms, C2-6 alkenyloptionally substituted by one or more halogen atoms, C2-6 alkynyl optionally substituted by one or more halogen atoms, NH2,NH(C1-6 alkanoyl optionally substituted by one or more halogen atoms), NH(C1-6 alkoxycarbonyl optionally substituted by one or more halogen atoms), N(C1-6 alkoxycarbonyl optionally substituted by one or more halogen atoms)2, NH(C1-6 alkyl optionally substituted by one or more halogen atoms), N(C1-6 alkyl optionally substituted by one or more halogen atoms)2, NHCONH(C1-6 alkyl optionally substituted by one or more halogen atoms), N-pyrrolyl, NHCONH(phenyl optionally substituted by one or more halogen atoms),N=CH(phenyl optionally substituted by one or more halogen atoms), OH, C1-6 alkoxy optionally substituted by one or more halogen atoms, SH or S(O)m(C1-6 alkyl optionally substituted by one or more halogen atoms); R3, R4, R5, R6 and R7 are each independently H, halogen, nitro, C1-6 alkoxycarbonyl optionally substituted by one or more halogen atoms, C1-6 alkyl optionally substituted by one or more halogen atoms, CN, C1-6 alkanoyl optionally substituted by one or more halogen atoms, CONH2, CSNH2, C1-6 alkoxy optionally substituted by one or more halogen atoms, S(O)m(C1-6 alkyl optionally substituted by one or more halogen atoms) or SF5; Such compounds and salts have useful parasiticidal qualities.

  式(I)化合物、 其中 R1 是 H、任选被一个或多个卤素原子取代的 C1-6 烷基、卤素、CN、任选被一个或多个卤素原子取代的 C1-6 烷氧羰基、NO2、CHO、CONH2、CSNH2 或任选被一个或多个卤素原子取代的 C1-6 烷酰基； Ar 是环 "A"，其中 "A "是苯基，或 "A "是 5 或 6 元杂芳基、 或 Ar 是融合的双环分子 "AB"，其中 "A "环如上定义，而 "AB "中与其融合的 "B "环是 5 或 6 元饱和或部分或完全不饱和碳环，或饱和或部分或完全不饱和杂环。 R2是H、卤素、任选被一个或多个卤素原子取代的C1-6烷基、任选被一个或多个卤素原子取代的C2-6烯基、任选被一个或多个卤素原子取代的C2-6炔基、NH2、NH(任选被一个或多个卤素原子取代的C1-6烷酰基)、NH(任选被一个或多个卤素原子取代的C1-6烷氧羰基)、N(任选被一个或多个卤素原子取代的C1-6烷氧羰基)2、NH(任选被一个或多个卤素原子取代的 C1-6 烷基)、N(任选被一个或多个卤素原子取代的 C1-6 烷基)2、NHCONH(任选被一个或多个卤素原子取代的 C1-6 烷基)、N-吡咯基、NHCONH(任选被一个或多个卤素原子取代的苯基)、N=CH(任选被一个或多个卤素原子取代的苯基)、OH、任选被一个或多个卤素原子取代的 C1-6 烷氧基、SH 或 S(O)m(任选被一个或多个卤素原子取代的 C1-6 烷基)； R3、R4、R5、R6 和 R7 各自独立地为 H、卤素、硝基、任选被一个或多个卤素原子取代的 C1-6 烷氧基羰基、任选被一个或多个卤素原子取代的 C1-6 烷基、CN、任选被一个或多个卤素原子取代的 C1-6 烷酰基、CONH2、CSNH2、任选被一个或多个卤素原子取代的 C1-6 烷氧基、S(O)m(任选被一个或多个卤素原子取代的 C1-6 烷基)或 SF5； 此类化合物和盐类具有有用的杀寄生虫特性。
• US6069157A
  申请人：——

  公开号：US6069157A

  公开（公告）日：2000-05-30
• US6156782A
  申请人：——

  公开号：US6156782A

  公开（公告）日：2000-12-05