4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine | 1193511-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine
• 英文别名: 4-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrazol-3-amine
• CAS: 1193511-96-4
• 化学式: C₁₁H₁₁ClFN₃
• 分子量: 239.68
• InChiKey: KZSPGJBDGVYELW-UHFFFAOYSA-N

物化性质

• 沸点：
  332.0±42.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine 在 bis-triphenylphosphine-palladium(II) chloride 亚硝酸特丁酯 、 copper(ll) bromide 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.0h， 生成 4-(2-chloro-4-fluorophenyl)-5-[(2,4-difluorophenyl)methyl]-1,3-dimethyl-1H-pyrazole
  参考文献：
  名称：

  FUNGICIDAL SUBSTITUTED AZOLES

  摘要：

  揭示了公式1的化合物，包括所有的几何和立体异构体，N-氧化物和盐，其中J是Q2或R1；X是N，CR2或CQ3；Y是N或CR3；Z是N或CR4；Q1，Q2，Q3，R1，R2和R3如披露中定义的。还披露了含有公式1化合物的组合物以及控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。

  公开号：

  US20110045101A1
• 作为产物：
  描述：

  2-氯-4-氟苯基乙腈 在 sodium methylate 、 sodium acetate 作用下， 以 乙醇 、 乙酸乙酯 、 甲苯 为溶剂， 反应 13.0h， 生成 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine
  参考文献：
  名称：

  [EN] FUNGICIDAL NITROANILINO SUBSTITUTED PYRAZOLES
  [FR] PYRAZOLES FONGICIDES SUBSTITUÉS PAR NITROANILINO

  摘要：

  本文披露了一种公式1的化合物，包括所有几何和立体异构体、互变异构体、N 氧化物及其盐，其中R1、R2、R3、R4、R5、R6、m和n如披露中定义。还披露了含有公式1化合物的组合物以及用于控制由真菌病原体引起的植物疾病的方法，包括施加本发明的化合物或组合物的有效量。

  公开号：

  WO2020051402A1

文献信息

• [EN] PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES<br/>[FR] DÉRIVÉS DE PYRAZOLE, D'ISOTHIAZOLE ET D'ISOXAZOLE UTILES EN TANT QUE FONGICIDES AGRICOLES
  申请人：REDAG CROP PROT LTD

  公开号：WO2019020981A1

  公开（公告）日：2019-01-31

  The present invention relates to substituted pyrazole, isoxazole andisothiazole compounds which are of use in the field of agriculture as fungicides.

  本发明涉及用作杀菌剂的取代吡唑、异噁唑和异噻唑化合物，适用于农业领域。
• [EN] FUNGICIDAL PYRAZOLES<br/>[FR] PYRAZOLES FONGICIDES
  申请人：DU PONT

  公开号：WO2010101973A1

  公开（公告）日：2010-09-10

  Disclosed are compounds of Formula (1), including all geometric and stereoisomers, JV-oxides, and salts thereof, wherein Q1 is a phenyl ring, naphthalenyl ring system, a 5- to 6-membered fully unsaturated heterocyclic ring or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; Q2 is a phenyl ring, a naphthalenyl ring system, a 5- to 6-membered saturated, partially unsaturated or fully unsaturated heterocyclic ring, or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; X is O, S(O)m, NR4, CR15R16, C(O) or C(=S); and R1, R1a, R2, R4, R15, R16 and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula (1) and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Also disclosed are compounds of Formula (2), including all geometric and stereoisomers, and salts thereof, wherein X is NH; and Q1, Q2 and R2 are as defined for Formula (1); which are useful as intermediates for preparing compounds of Formula (1).

  公开的是Formula (1)的化合物，包括所有的几何和立体异构体，JV-氧化物及其盐，其中Q1是苯环，萘环系统，5-至6-成员完全不饱和的杂环环或8-至10-成员的杂芳双环系统，每个如披露中定义的可选取代基；Q2是苯环，萘环系统，5-至6-成员饱和的、部分不饱和的或完全不饱和的杂环环，或8-至10-成员的杂芳双环系统，每个如披露中定义的可选取代基；X是O，S(O)m，NR4，CR15R16，C(O)或C(=S)；而R1、R1a、R2、R4、R15、R16和m如披露中定义。还公开了含有Formula (1)的化合物的组合物以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。还公开了Formula (2)的化合物，包括所有的几何和立体异构体，及其盐，其中X是NH；Q1、Q2和R2如Formula (1)中定义；它们可作为制备Formula (1)的化合物的中间体。
• FUNGICIDAL PYRAZOLES
  申请人：Kar Moumita

  公开号：US20130123323A1

  公开（公告）日：2013-05-16

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q 1 is a phenyl ring, naphthalenyl ring system, a 5- to 6-membered fully unsaturated heterocyclic ring or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; Q 2 is a phenyl ring, a naphthalenyl ring system, a 5- to 6-membered saturated, partially unsaturated or fully unsaturated heterocyclic ring, or an 8- to 10-membered heteroaromatic bicyclic ring system, each as described with optional substituents as defined in the disclosure; R 3 is H, halogen or C 1 -C 4 alkyl; R 4 is halogen; and R 1 and R 2 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明涉及一种Formula 1的化合物，包括所有的几何和立体异构体、N-氧化物和其盐。其中，Q1是苯环、萘环系统、5-到6-成员的完全不饱和的杂环环或8-到10-成员的杂芳双环环系统，每个都可以带有可选的取代基，如本说明书所定义；Q2是苯环、萘环系统、5-到6-成员的饱和、部分不饱和或完全不饱和的杂环环，或8-到10-成员的杂芳双环环系统，每个都可以带有可选的取代基，如本说明书所定义；R3是H、卤素或C1-C4烷基；R4是卤素；R1和R2如本说明书所定义。本发明还涉及含有Formula 1化合物的组合物，以及应用本发明的化合物或组合物的有效量来控制由真菌病原体引起的植物病害的方法。
• [EN] NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLE FONGICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2016026830A1

  公开（公告）日：2016-02-25

  The invention relates to novel pyrazole derivatives of formula (I), to processes for preparing these compounds, to compositions comprising these compounds, and to the use thereof as biologically active compounds, especially for controlling harmful microorganisms in crop protection and in the protection of materials. (I) wherein R is H, CH3, F, CI or Br; X is O or NH; Y is C=O, CHRa or S(O)p, with Ra is H or CH3, and p is 1 or 2; Q1 is an optionally substituted 5- to 7-membered carbocyclic ring or 5- to 7-membered heterocyclic ring; and Q2 is an optionally substituted 5- to 7-membered carbocyclic ring, 5- to 7-membered heterocyclic ring or linear or branched alkyl.

  本发明涉及一种新的吡唑衍生物，其化学式为(I)，以及制备这些化合物的方法，包括含有这些化合物的组合物，以及将其作为生物活性化合物的用途，特别是用于控制农作物保护和材料保护中的有害微生物。(I)中，R为H、CH3、F、CI或Br；X为O或NH；Y为C=O、CHRa或S(O)p，其中Ra为H或 ，p为1或2；Q1为可选取代的5-至7-成员的碳环或5-至7-成员的杂环；Q2为可选取代的5-至7-成员的碳环、5-至7-成员的杂环或线性或支链烷基。
• FUNGICIDAL PYRAZOLES AND THEIR MIXTURES
  申请人：Long Jeffrey Keith

  公开号：US20130129839A1

  公开（公告）日：2013-05-23

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1, N-oxides, and salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the disclosure; and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of a compound of Formula 1, an N-oxide, or salt thereof (e.g., as a component in the aforesaid composition). Also disclosed is a composition comprising: (a) at least one compound selected from the compounds of Formula 1 described above, N-oxides, and salts thereof; and at least one invertebrate pest control compound or agent.

  本发明公开了一种杀真菌组合物，包括（a）至少一种选择自式1化合物、N-氧化物和其盐的化合物，其中R1、R2、R3、R4、R5和R6如本公开所定义；（b）至少一种额外的杀真菌化合物。本发明还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括向植物或其部分，或植物种子施加式1化合物、N-氧化物或其盐的杀真菌有效量（例如，作为上述组合物的组分）。本发明还公开了一种组合物，包括：（a）至少一种选择自上述式1化合物、N-氧化物和其盐的化合物；和至少一种无脊椎动物害虫控制化合物或剂。