3-(difluoromethyl)-1,4-dimethyl-1H-pyrazole | 1092961-37-9

• 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-(difluoromethyl)-1,4-dimethyl-1H-pyrazole
• 英文别名: 3-Difluoromethyl-1,4-dimethylpyrazole；3-(difluoromethyl)-1,4-dimethylpyrazole
• CAS: 1092961-37-9
• 化学式: C₆H₈F₂N₂
• 分子量: 146.14
• InChiKey: ABFCPDYYBWSWKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  186.2±35.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙基丙烯醚 、 N,N-二甲基四氟乙胺 、 甲基肼 在 三氟化硼乙醚 、 吡啶 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醚 、 水 为溶剂， 以25%的产率得到3-(difluoromethyl)-1,4-dimethyl-1H-pyrazole
  参考文献：
  名称：

  Method for Producing Difluoromethyl-Substituted Pyrazole Compounds

  摘要：

  本发明涉及一种制备3-二氟甲基取代吡唑化合物的方法，其化学式为（I），其中R1为H、卤素、硝基、C1-C8烷基、C1-C8卤代烷基、C3-C8环烷基、苯基、萘基、杂环基、氰基、—C(═O)—OR1a、—C(═O)—NR1bR1c、—C(═O)—SR1d或—C(═S)—SR1e；R2为H、C1-C4烷基、苄基或苯基；R3为H、卤素、C1-C8烷氧基、C1-C8卤代烷氧基、C3-C8环烷氧基、C2-C8烯氧基、C1-C8烷硫基、C1-C8卤代烷硫基、C3-C8环烷硫基或C2-C8烯硫基；化合物的化学式为（II.a）或（II.b），其中R1和R3分别具有上述定义；R4为卤素、—OR4a、—SR4a、—O—SO2—R4a或—NR4bR4c基团；R5和R6分别为C1-C8烷基、C1-C8卤代烷基、C3-C8环烷基、苄基或苯基，或与它们连接的氮原子一起形成3-至8-成员的杂环；化合物的路易斯酸加合物的使用，化合物的化学式为（II.b）；化合物的化学式为（II.a）或（II.b）和路易斯酸加合物的使用，用于制备化合物的化学式为（I）或（VI）；以及将这些化合物转化为相应的3-二氟吡唑-4-羧酸的方法。

  公开号：

  US20100184994A1

文献信息

• [EN] SULFONYL PYRIDYL TRP INHIBITORS<br/>[FR] INHIBITEURS DE SULFONYLPYRIDYLE TRP
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018029288A1

  公开（公告）日：2018-02-15

  The invention is concerned with the compounds of formula I: (I) and pharmaceutically acceptable salts thereof where R1 is a substituted or unsubstituted phenyl or a fused bicyclic comprising a substituted or unsubstituted phenyl. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  本发明涉及公式I的化合物：(I)以及其中R1是取代的或未取代的苯基或包含取代的或未取代的苯基的并环双环的 pharmaceutically 可接受的盐。此外，本发明还涉及制造和使用公式I化合物的方法以及包含此类化合物的药物组合物。这些化合物可能对治疗由TRPA1介导的疾病和状况，如疼痛，是有用的。
• PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES
  申请人：Stierli Daniel

  公开号：US20130072535A1

  公开（公告）日：2013-03-21

  Compounds of Formula (I) wherein R 1 is C 1 -C 4 alkyl or C 1 -C 4 haloalkyl; R 2 is C 1 -C 4 alkyl; R 3 is hydrogen or halogen; R 4 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 halogenalkyl; R 5 is hydrogen, halogen, C 1 -C 4 alkyl or C 1 -C 4 halogenalkyl; R 6 is hydrogen, halogen, C 1 -C 4 alkyl, C 2 -C 6 alkenyl or C 3 -C 6 alkinyl; R 7 is hydrogen, halogen, C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 3 -C 6 alkinyl, C 3 -C 6 cycloalkyl-C 3 -C 6 alkinyl, halophenoxy, halophenyi, C 1 -C 6 haloalkyl, C 1 -C 6 haloakoxy, C 2 -C 6 haloalkenyl, or C 2 -C 6 haloalkenyloxy; R 8 is hydrogen, halogen, C 1 -C 4 alkyl, C 2 -C 6 alkenyl or C 3 -C 6 alkinyl; with the provisio that at least one of R 6 , R 7 and R 8 is different from hydrogen; n is 0 or 1, are suitable for use as microbriocides.

  公式(I)的化合物，其中R1是C1-C4烷基或C1-C4卤代烷基；R2是C1-C4烷基；R3是氢或卤素；R4是氢，C1-C4烷基或C1-C4卤代烷基；R5是氢，卤素，C1-C4烷基或C1-C4卤代烷基；R6是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基；R7是氢，卤素，C1-C6烷基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，卤代苯氧基，卤代苯基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基；R8是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基；前提是R6、R7和R8中至少有一个不同于氢；n是0或1，适用于作为微生物杀灭剂的用途。
• FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20170188580A1

  公开（公告）日：2017-07-06

  To provide a novel pesticidal composition, particularly a composition for a fungicide. A fungicidal or bactericidal composition comprising one or more compounds selected from oxime-substituted amide compounds represented by the formula (I), or their N-oxides or salts, and one or more compounds selected from known fungicidal or bactericidal compounds: wherein G 1 represents a structure of G 1 -1, G 1 -27, etc., G 2 represents a structure of G 2 -2, etc., W represents an oxygen atom, etc., X 1 represents difluoromethyl, trifluoromethyl, etc., X 2 , X 3 , X 4 and X 5 each independently represents a hydrogen atom, etc., Y 1 represents a halogen atom, etc., Y 2 represents a hydrogen atom, a halogen atom, etc., Y 3 represents a halogen atom, trifluoromethyl, C 2 -C 6 alkynyl, etc., Y 4 represents a hydrogen atom, etc., R 1 represents C 1 -C 6 alkyl, C 1 -C 4 haloalkyl, etc., R 2 and R 3 each independently represents a hydrogen atom, methyl, etc., R 4 represents a hydrogen atom, etc., and R 5 represents methyl, etc.

  提供一种新型杀虫剂组合物，特别是一种用于杀菌剂的组合物。一种杀真菌或杀菌组合物，包括下式所示的氧肟取代酰胺化合物中选择的一个或多个化合物，或其N-氧化物或盐，以及从已知的杀真菌或杀菌化合物中选择的一个或多个化合物： 其中G1代表G1-1、G1-27等的结构，G2代表G2-2等的结构，W代表氧原子等，X1代表二氟甲基、三氟甲基等，X2、X3、X4和X5分别独立地代表氢原子等，Y1代表卤素原子等，Y2代表氢原子、卤素原子等，Y3代表卤素原子、三氟甲基、C2-C6炔基等，Y4代表氢原子等，R1代表C1-C6烷基、C1-C4卤代烷基等，R2和R3分别独立地代表氢原子、甲基等，R4代表氢原子等，R5代表甲基等。
• [EN] PYRAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES<br/>[FR] DÉRIVÉS D'UN PYRAZOLECARBOXAMIDE ET LEUR UTILISATION COMME MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2011147690A1

  公开（公告）日：2011-12-01

  Compounds of Formula (I) wherein R1 is C1-C4alkyl or C1 -C4 haloalkyl; R2 is C1-C4alkyl; R3 is hydrogen or halogen; R4 is hydrogen, C1-C4alkyl or C1-C4halogenalkyl; R5 is hydrogen, halogen, C1-C4alkyl or C1-C4halogenalkyl; R6 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl or C3-C6alkinyl; R7 is hydrogen, halogen, C1-C6alkyl, C2-C6alkenyl, C3-C6alkinyl, C3-C6cycloalkyl- C3-C6alkinyl, halophenoxy, halophenyi, C1-C6haloalkyl,C1-C6haloakoxy, C2- C6haloalkenyl, or C2-C6haloalkenyloxy; R8 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl or C3-C6alkinyl; with the provisio that at least one of R6, R7 and R8 is different from hydrogen; n is 0 or 1, are suitable for use as microbriocides.

  公式(I)的化合物，其中R1是C1-C4烷基或C1-C4卤代烷基；R2是C1-C4烷基；R3是氢或卤素；R4是氢，C1-C4烷基或C1-C4卤代烷基；R5是氢，卤素，C1-C4烷基或C1-C4卤代烷基；R6是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基；R7是氢，卤素，C1-C6烷基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，卤代苯氧基，卤代苯基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基；R8是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基；条件是R6、R7和R8中至少有一个不同于氢；n是0或1，适用于作为微生物杀灭剂。
• [EN] PYRAZOLE MICROBIOCIDES<br/>[FR] PYRAZOLE MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2011101256A1

  公开（公告）日：2011-08-25

  Compounds of formula (I) wherein R1 is C1-C4alkyl or C1-C4haloalkyl; R2 is C1-C4alkyl; R3 is hydrogen or halogen; R4 is hydrogen, C1-C4alkyl or C1-C4haloalkyl; R5 is hydrogen, halogen, C1-C4alkyl or C1-C4haloalkyl; G1 is a cyclohexenyl group which is mono- or polysubstituted by substituents selected from the group consisting of C1-C6alkyl, C1-C6alkoxy, C3-C6cycloalkyl and phenyl; said cyclohexenyl group can form together with a C1-C4alkylene group a bicyclic system which can be mono- or polysubstituted by by substituents selected from the group consisting of C1-C6alkyl, C1-C6alkoxy, C3-C6cycloalkyl and phenyl; are suitable for use as microbiocides.

  公式(I)的化合物，其中R1是C1-C4烷基或C1-C4卤代烷基；R2是C1-C4烷基；R3是氢或卤素；R4是氢，C1-C4烷基或C1-C4卤代烷基；R5是氢，卤素，C1-C4烷基或C1-C4卤代烷基；G1是一个环己烯基团，该环己烯基团可以由C1-C4亚烷基与一个双环系统共同形成，可以由选自C1-C6烷基、C1-C6烷氧基、C3-C6环烷基和苯基的取代基进行单取代或多取代；适合用作微生物杀灭剂。