3-chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methyl-1H-pyrazole | 1192117-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methyl-1H-pyrazole
• 英文别名: 3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
• CAS: 1192117-58-0
• 化学式: C₁₇H₁₂Cl₂F₂N₂O
• 分子量: 369.198
• InChiKey: MLOMHBQFFDXXCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,6-二氟-4-甲氧基苯基乙腈 在 盐酸 、 manganese(IV) oxide 、 potassium carbonate 、 三乙胺 、 copper(l) chloride 、 sodium nitrite 作用下， 以 甲醇 、 氯仿 、 水 为溶剂， 反应 93.0h， 生成 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methyl-1H-pyrazole
  参考文献：
  名称：

  [EN] MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  [FR] COMPOSÉS HÉTÉROCYCLIQUES MULTI-CIBLE POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  本公开提供了治疗受试者的神经退行性疾病、外周炎症性疾病、癌症或寄生虫病的方法，包括向受试者施用式(I)、(II)、(III)和/或(IV)的化合物：(I)、(II)、(III)、(IV)或其药学上可接受的盐，其中X、R1-R8、R21-R28、R31-R38和R41-R48如本文所定义。

  公开号：

  WO2018048969A1

文献信息

• [EN] NOVEL PYRAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2009127612A1

  公开（公告）日：2009-10-22

  The present invention relates tonovel pyrazolederivatives of Formula (I) as active ingredients which have microbiocidal activity, in particular fungicidal activity: wherein R1 is C1-C4 alkyl or C1-C haloalkyl; R2 is an optionally substituted aryl or heteroaryl; R3 is halogen; R4 is hydrogen, halogen, C1-C4 alkyl, C1-C4 haloalkyl, cyano or OR6; R5 is hydrogen, halogen, C1-C4 alkyl, C1-C4 haloalkyl, cyano or OR6; R6 is hydrogen, C1-C6 alkyl, C3-C7 cycloalkyl, C3-C10 alkylcycloalkyl, C1-C6 haloalkyl, C2-C6 alkenyl, C2-C haloalkenyl, C3-C7 cycloalkenyl, C2-C6 alkynyl, C2-C6 haloalkynyl, C2-C6 alkyloxyalkyl; R7 is halogen or OR6; X is N or C-R4; or an agrochemically usablesalt form thereof.

  该发明涉及公式（I）的新型吡唑衍生物作为活性成分，具有微生物杀灭活性，特别是真菌杀灭活性：其中R1是C1-C4烷基或C1-C卤代烷基；R2是一个可选取代的芳基或杂环芳基；R3是卤素；R4是氢、卤素、C1-C4烷基、C1-C4卤代烷基、氰基或OR6；R5是氢、卤素、C1-C4烷基、C1-C4卤代烷基、氰基或OR6；R6是氢、C1-C6烷基、C3-C7环烷基、C3-C10烷基环烷基、C1-C6卤代烷基、C2-C6烯基、C2-C卤代烯基、C3-C7环烯基、C2-C6炔基、C2-C6卤代炔基、C2-C6烷氧烷基；R7是卤素或OR6；X是N或C-R4；或其农用化学盐形式。
• Synthesis of Tetrasubstituted Pyrazoles through Different Cyclization Strategies; Isosteres of Imidazole Fungicides
  作者：Raphael Dumeunier、Clemens Lamberth、Stephan Trah

  DOI：10.1055/s-0033-1338433

  日期：——

  Formerly unknown 3-chloro-4,5-diaryl-1-methylpyrazoles have been prepared through two different synthesis pathways, one of which starts from 2,3-diarylacrylonitriles, the second from 3,3-dichloro-1,2-diarylpropenones. Both approaches rely on the cyclocondensation of diarylated three-carbon synthons with hydrazine derivatives and possess some unique features. One route uses a cyclization reaction, during which a chlorine atom is directly installed at the pyrazole ring that normally would be introduced in subsequent halogenation steps. The second pathway applies the Sandmeyer reaction to introduce this chloro substituent; an approach that is rarely described at the pyrazole nucleus. The obtained tetrasubstituted pyrazoles are isosteres of highly active imidazole fungicides and show good control of Uncinula necator (grape powdery mildew).
• NOVEL PYRAZOLE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP2274285A1

  公开（公告）日：2011-01-19
• [EN] MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES MULTI-CIBLE POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV PENNSYLVANIA

  公开号：WO2018048969A1

  公开（公告）日：2018-03-15

  The present disclosure provides methods of treating neurodegenerative diseases, peripheral inflammatory conditions, cancers, or parasitic diseases in a subject, comprising administering to the subject a compound of Formula (I), (II), (III), and/or (IV):(I), (II), (III), (IV) or a pharmaceutically acceptable salt thereof, wherein X. R1-R8, R21-R28. R31-R38, and R41-R48 are as defined herein.

  本公开提供了治疗受试者的神经退行性疾病、外周炎症性疾病、癌症或寄生虫病的方法，包括向受试者施用式(I)、(II)、(III)和/或(IV)的化合物：(I)、(II)、(III)、(IV)或其药学上可接受的盐，其中X、R1-R8、R21-R28、R31-R38和R41-R48如本文所定义。