3-(2,4-dichloro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole | 129656-72-0

• 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-(2,4-dichloro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
• 英文别名: 3-(2,4-dichloro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
• CAS: 129656-72-0
• 化学式: C₁₂H₁₀Cl₂F₂N₂O
• 分子量: 307.127
• InChiKey: VLNUPDQBAKHDJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2,4-dichloro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole 在 磺酰氯 作用下， 以 四氯化碳 为溶剂， 生成 4-chloro-3-(2,4-dichloro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
  参考文献：
  名称：

  5-pyrazolylbenzoic acid derivatives as herbicides

  摘要：

  化学式I的5-吡唑基苯甲酸化合物##STR1##其中R.sup.1为氢、烷基、氰基烷基或卤基烷基；R.sup.2为烷氧基、烷硫基、卤基烷氧基或卤基烷硫基；R.sup.3为氢、氰基、硝基、卤素；R.sup.4为卤素；R.sup.5为氰基、卤素、烷基、卤基烷基、烷氧基或卤基烷氧基；R.sup.6为--O--R.sup.7、--S--R.sup.7、--N(R.sup.8)--R.sup.7或--N(R.sup.8)--OR.sup.7；R.sup.7为--X--C(R.sup.9).dbd.N--O--R.sup.10、--X--C(R.sup.9).dbd.N--O--Z--R.sup.10、--X--O--N.dbd.C(R.sup.11,R.sup.12)、--X--SO.sub.2--R.sup.13或未取代或取代的饱和3-到7-成员杂环或杂环烷基基团；R.sup.8为氢、烷基、卤基烷基、烯基、卤基烯基、炔基或烷基磺酰基；R.sup.8至R.sup.13如规范中所定义，或化合物I的农业上有用的盐，可用作除草剂和植物脱水剂或除叶剂。

  公开号：

  US06096689A1
• 作为产物：
  描述：

  3-(2,4-dichloro-5-methylphenyl)-1-methyl-2-pyrazolin-5-one 生成 3-(2,4-dichloro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
  参考文献：
  名称：

  Substituted 3-phenylpyrazoles

  摘要：

  取代的3-苯基吡唑类化合物被用作除草剂。

  公开号：

  US05744426A1

文献信息

• [DE] 5-PYRAZOLYLBENZOSÄURE-DERIVATE ALS HERBIZIDE<br/>[EN] 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES<br/>[FR] DERIVES DE 5-ACIDE BENZOIQUE DE PYRAZOLYLE UTILISES COMME HERBICIDES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1997002251A1

  公开（公告）日：1997-01-23

  (DE) 5-Pyrazolylbenzosäure-Derivate der Formel (I), worin R2 = C1-C4-Alkoxy, C1-C4-Alkylthio, C1-C4-Halogenalkoxy, C1-4-Halogenalkylthio; als Herbizide und Desikkation/Defoliation von Pflanzen.(EN) The invention pertains to 5-pyrazolylbenzoic acid derivatives of formula (I), wherein R2 is C1-C4 alkoxy, C1-C4 alkylthio, C1-C4 alkoxy halide or C1-C4 alkylthio halide, used as herbicides and plant desiccatives or defoliants.(FR) L'invention concerne des dérivés de 5-acide benzoïque de pyrazolyle de la formule (I), dans laquelle R2 désigne alcoxy C1-C4 alkylthio C1-C4, halogénure d'alcoxy C1-C4, halogénure d'alkylthio C1-C4. Ces dérivés s'utilisent comme herbicides, ainsi que dans la désiccation/défoliation de végétaux.

  (德) 5-吡咯基苯甲酸衍生物，具有以下通式(I)，其中R2为C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷氧基或C1-C4卤代烷硫基；作为除草剂和植物脱水剂/落叶剂使用。 (英) 本发明涉及具有通式(I)的5-吡咯基苯甲酸衍生物，其中R2为C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷氧基或C1-C4卤代烷硫基；这些衍生物作为除草剂，并用于植物的脱水剂或落叶剂。 (法) 本发明涉及具有通式(I)的5-吡咯基苯甲酸衍生物，其中R2为C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷氧基或C1-C4卤代烷硫基；这些衍生物用作除草剂，并用于植物的脱水/落叶。
• [DE] SUBSTITUIERTE 3-PHENYLPYRAZOLE<br/>[EN] SUBSTITUTED 3-PHENYL PYRAZOLES<br/>[FR] 3-PHENYLPYRAZOLES SUBSTITUES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1998005649A1

  公开（公告）日：1998-02-12

  (DE) Verbindungen der Formel (I) und deren Salze R1 = C1-C4-Alkyl, C1-C4-Halogenalkyl; R2 = CN, C1-C4-Alkyl, C1-C4-Halogenalkyl, C1-C4-Alkoxy, C1-C4-Halogenalkoxy, C1-C4-Alkylthio, C1-C4-Halogenalkylthio, C1-C4-Alkylsulphinyl, C1-C4-Halogenalkylsulphinyl, C1-C4-Alkylsulphonyl, C1-C4-Halogenalkylsulphonyl; R3 = H, CN, Halogen, C1-C4-Alkyl, C1-C4-Halogenalkyl; R4 = H, Halogen; R5 = CN, Halogen, C1-C4-Alkyl, C1-C4-Halogenalkyl, C1-C4-Alkoxy, C1-C4-Halogenalkoxy; R6, R7 = C1-C6-Alkyl, C1-C6-Halogenalkyl, Hydroxy-C1-C4-alkyl, Cyano-C1-C4-alkyl, C1-C4-Alkoxy-C1-C4-alkyl, C1-C4-Halogenalkoxy-C1-C4-alkyl, C3-C4-Alkenyloxy-C1-C4-alkyl, C3-C4-Alkinyloxy-C1-C4-alkyl, C3-C8-Cycloalkyloxy-C1-C4-alkyl, Amino-C1-C4-alkyl, C1-C4-Alkylamino-C1-C4-alkyl, Di(C1-C4-alkyl)amino-C1-C4-alkyl, C1-C4-Alkylthio-C1-C4-alkyl, C1-C4-Halogenalkylthio-C1-C4-alkyl, C3-C4-Alkenylthio-C1-C4-alkyl, C3-C4-Alkinylthio-C1-C4-alkyl, C1-C4-Alkylsulphinyl-C1-C4-alkyl, C1-C4-Halogenalkylsulphinyl-C1-C4-alkyl, C3-C4-Alkenylsulphinyl-C1-C4-alkyl, C3-C4-Alkinylsulphinyl-C1-C4-alkyl, C1-C4-Alkylsulphonyl-C1-C4-alkyl, C1-C4-Halogenalkylsulphonyl-C1-C4-alkyl, C3-C4-Alkenylsulphonyl-C1-C4-alkyl, C3-C4-Alkinylsulphonyl-C1-C4-alkyl, C3-C6-Alkenyl, Cyano-C3-C6-alkenyl, C3-C6-Halogenalkenyl, C3-C6-Alkinyl, Cyano-C3-C6-alkinyl, C3-C6-Halogenalkinyl, (C1-C4-Alkyl)carbonyl, (C1-C4-Halogenalkyl)carbonyl, (C1-C4-Alkoxy)carbonyl, H2N-CO, (C1-C4-Alkyl)NH-CO; (C1-C4-Alkyl)2N-CO, (C1-C4-Alkoxy-C1-C4-alkyl)carbonyl, C1-C4-Alkyl-SO2-, C1-C4-Halogenalkyl-SO2-, (C1-C4-Alkyl)carbonyl-C1-C4-alkyl, (C1-C4-Halogenalkyl)-carbonyl-C1-C4-alkyl, (C3-C8-Cycloalkyl)carbonyl-C1-C4-alkyl, (C1-C4-Alkoxy)imino-C1-C4-alkyl, (C3-C4-Alkenyloxy)imino-C1-C4-alkyl, Hydroxycarbonyl-C1-C4-alkyl, geg. subst. (C1-C4-Alkoxy)carbonyl-C1-C4-alkyl, (C1-C4-Halogenalkoxy)-carbonyl-C1-C4-alkyl, (C1-C4-Alkylthio)carbonyl-C1-C4-alkyl, H2NCO-C1-C4-alkyl, (C1-C4-Alkylamino)carbonyl-C1-C4-alkyl, Di(C1-C4-alkyl)aminocarbonyl-C1-C4-alkyl, gegebenenfalls substituiertes C3-C8-Cycloalkyl, C3-C8-Cycloalkyl-C1-C4-alkyl, Phenyl, Phenyl-C1-C4-alkyl, 3- bis 7-gliedriges Heterocyclyl or Heterocyclyl-C1-C4-alkyl, wobei alle Cycloalkyl- oder Heterocyclylringe CO oder CS enthalten können; X = Bindung, -C$m(Z)C-, *-CH2-CH(R8)- oder *-CH=C(R8)- (Stern = Bindung zum Phenylring; R8 = H, CN, NO2, Halogen, C1-C4-Alkyl, C1-C4-Halogenalkyl); Y = O, S} als Herbizide.(EN) Compounds having the formula (I) and their salts are useful as herbicides. In the formula R1 = C1-C4-alkyl, halogenated C1-C4-alkyl, R2 = CN, C1-C4-alkyl, halogenated C1-C4-alkyl, C1-C4-alkoxy, halogenated C1-C4-alkoxy, C1-C4-alkylthio, halogenated C1-C4-alkylthio, C1-C4-alkylsulphinyl, halogenated C1-C4-alkylsulphinyl, C1-C4-alkylsulphonyl, halogenated C1-C4-alkylsulphonyl; R3 = H, CN, halogen, C1-C4-alkyl, halogenated C1-C4-alkyl; R4 = H, halogen; R5 = CN, halogen, C1-C4-alkyl, halogenated C1-C4-alkyl, C1-C4-alkoxy, halogenated C1-C4-alkoxy; R6, R7 = C1-C6-alkyl, halogenated C1-C6-alkyl, hydroxy-C1-C4-alkyl, cyano-C1-C4-alkyl, C1-C4-alkoxy-C1-C4-alkyl, halogenated C1-C4-alkoxy-C1-C4-alkyl, C3-C4-alkenyloxy-C1-C4-alkyl, C3-C4-alkinyloxy-C1-C4-alkyl, C3-C8-cycloalkyloxy-C1-C4-alkyl, amino-C1-C4-alkyl, C1-C4-alkylamino-C1-C4-alkyl, di(C1-C4-alkyl)amino-C1-C4-alkyl, C1-C4-alkylthio-C1-C4-alkyl, halogenated C1-C4-alkylthio-C1-C4-alkyl, C3-C4-alkenylthio-C1-C4-alkyl, C3-C4-alkinylthio-C1-C4-alkyl, C1-C4-alkylsulphinil-C1-C4-alkyl, halogenated C1-C4-alkylsulphinyl-C1-C4-alkyl, C3-C4-alkenylsulphinyl-C1-C4-alkyl, C3-C4-alkinylsulphinyl-C1-C4-alkyl, C1-C4-alkylsulphonyl-C1-C4-alkyl, halogenated C1-C4-alkylsulphonyl-C1-C4-alkyl, C3-C4-alkenylsulphonyl-C1-C4-alkyl, C3-C4-alkinylsulphonyl-C1-C4-alkyl, C3-C6-alkenyl, cyano-C3-C6-alkenyl, halogenated C3-C6-alkenyl, C3-C6-alkinyl, cyano-C3-C6-alkinyl, halogenated cyano-C3-C6-alkinyl, (C1-C4-alkyl)carbonyl, (halogenated C1-C4-alkyl)carbonyl, (C1-C4-alkoxy)carbonyl, H2N-CO, (C1-C4-alkyl)NH-CO; (C1-C4-alkyl)2N-CO, (C1-C4-alkoxy- C1-C4-alkyl)carbonyl, C1-C4-alkyl-SO2-, halogenated C1-C4-alkyl-SO2-, (C1-C4-alkyl)carbonyl- C1-C4-alkyl, (halogenated C1-C4-alkyl)-carbonyl- C1-C4-alkyl, (C3-C8-cycloalkyl)carbonyl- C1-C4-alkyl, (C1-C4-alkoxy)imino- C1-C4-alkyl, (C3-C4-alkenyloxy)imino- C1-C4-alkyl, hydroxycarbonyl- C1-C4-alkyl, optionally substituted (C1-C4-alkoxy)carbonyl- C1-C4-alkyl, (halogenated C1-C4-alkoxy)-carbonyl- C1-C4-alkyl, (C1-C4-alkylthio)carbonyl- C1-C4-alkyl, H2NCO- C1-C4-alkyl, (C1-C4-alkylamino)carbonyl- C1-C4-alkyl, di(C1-C4-alkyl)aminocarbonyl- C1-C4-alkyl, optionally substituted C3-C8-cycloalkyl, C3-C8-cycloalkyl- C1-C4-alkyl, phenyl, phenyl- C1-C4-alkyl, 3- to 7-membered heterocyclyl or heterocyclyl- C1-C4-alkyl, whereas all cycloalkyl or heterocyclyl rings may contain CO or Cs; X stands for a bond, -C$m(Z)C-, *-CH2-CH(R8)- or *-CH=C(R8)- (asterisk = bond with the phenyl ring; R8 = H, CN, NO2, halogen, C1-C4-alkyl, halogenated C1-C4-alkyl); and Y = O, S}(FR) L'invention concerne des composés de la formule (I) et leurs sels utilisés comme herbicides; R1 = alkyle C1-C4, halogénure d'alkyle C1-C4; R2 = CN, alkyle C1-C4, halogénure d'alkyle C1-C4, alcoxy C1-C4, halogénure d'alcoxy C1-C4, alkylthio C1-C4, halogénure d'alkylthio C1-C4, akylsulfinyle C1-C4, halogénure d'alkylsulfinyle C1-C4, alkylsulfonyle C1-C4, halogénure akylsulfonyle C1-C4; R3 = H, CN, halogène, alkyle C1-C4, halogénure d'alkyle C1-C4; R4 = H, halogène; R5 = CN, halogène, alkyle C1-C4, halogénure d'alkyle C1-C4, alcoxy C1-C4, halogénure d'alcoxy C1-C4; R6, R7 = alkyle C1-C6, halogénure d'alkyle C1-C6, hydroxy-alkyle C1-C4, cyano-alkyle C1-C4, alcoxy C1-C4-alkyle C1-C4, halogénure d'alcoxy C1-C4-alkyle C1-C4, alkényloxy C3-C4-alkyle C1-C4, alkinyloxy C3-C4alkyle C1-C4, cycloalkyloxy C3-C8-alkyle C1-C4, amino-alkyle C1-C4, alkylamino C1-C4-alkyle C1-C4, di(alkyle C1-C4)amino-alkyle C1-C4, alkylthio C1-C4-alkyle C1-C4, halogénure d'alkylthio C1-C4-alkyle C1-C4, alkénylthio C3-C4-alkyle C1-C4, alkinylthio C3-C4-alkyle C1-C4, alkylsulfinyle C1-C4-alkyle C1-C4, halogénure d'alkylsulfinyle C1-C4-alkyle C1-C4-alkyle C1-C4, alkénylsulfinyle C3-C4-alkyle C1-C4, alkinylsulfinyle C3-C4-alkyle C1-C4, alkylsulfonyle C1-C4-alkyle C1-C4, halogénure d'alkylsulfonyle C1-C4-alkyle C1-C4, alkénylsulfonyle C3-C4-alkyle C1-C4, alkinylsulfonyle C3-C4-alkyle C1-C4, alkényle C3-C6, cyano-alkényle C3-C6, halogénure d'alkényle C3-C6, alkinyle C3-C6, cyano-alkinyle C3-C6, halogénure d'alkinyle C3-C6, (alkyle C1-C4)carbonyle, (halogénure d'alkyle C1-C4)carbonyle, (alcoxy C1-C4)carbonyle, H2N-CO, (alkyle C1-C4)NH-CO; (alkyle C1-C4)2N-CO, (alcoxy C1-C4-alkyle C1-C4)carbonyle, alkyle C1-C4-SO2, halogénure d'alkyle C1-C4-SO2-(alkyle C1-C4)carbonyle-alkyle C1-C4, (halogénure d'alkyle C1-C4)carbonyle-alkyle C1-C4, (cycloalkyle C3-C8)carbonyle-alkyle C1-C4, (alcoxy C1-C4)imino-alkyle C1-C4, (alkényloxy C3-C4)imino-alkyle C1-C4, hydroxycarbonyle-alkyle C1-C4, (alcoxy C1-C4)carbonyle-alkyle C1-C4 éventu. subst., (halogénure d'alcoxy C1-C4)carbonyle-alkyle C1-C4, (alkylthio C1-C4)carbonyle-alkyle C1-C4, H2NCO-alkyle C1-C4, (alkylamino C1-C4)carbonyle-alkyle C1-C4. di(alkyle C1-C4)aminocarbonyle-alkyle C1-C4, cycloalkyle C3-C8 éventuellement substitué, cycloalkyle C3-C8-alkyle C1-C4), phényle, phényle-alkyle C1-C4, hétérocyclyle ayant de 3 à 7 chaînons ou hétérocyclyle-alkyle C1-C4, tous les composés cycloalkyle ou hétérocyclyle pouvant contenir CO ou CS; X désigne une liaison, -C$m(Z)C-, *-CH2-CH(R8)- ou *-CH=C(R8)-(astérisque = liaison au composé cyclique phényle); R8 = H, CN, NO2, halogène, alkyle C1-C4, halogénure d'alkyle C1-C4); Y = O, S}.

  以下是将上述英文文本翻译成中文的版本： ( DE ) Verbindungen der Formel (I) und deren Salze R1 = C1-C4-alkyl, C1-C4-halogenalkyl; R2 = CN, C1-C4-alkyl, C1-C4-halogenalkyl, C1-C4-alkoxy, C1-C4-halogenalkoxy, C1-C4-alkylthio, C1-C4-halogenalkylthio, C1-C4-alkylsulphinyl, C1-C4-halogenalkylsulphinyl, C1-C4-alkylsulfonyl, C1-C4-halogenalkylsulfonyl; R3 = H, CN, halogen, C1-C4-alkyl, C1-C4-halogenalkyl; R4 = H, halogen; R5 = CN, halogen, C1-C4-alkyl, C1-C4-halogenalkyl, C1-C4-alkoxy, C1-C4-halogenalkoxy; R6, R7 = C1-C6-alkyl, C1-C6-halogenalkyl, hydroxy-C1-C4-alkyl, cyano-C1-C4-alkyl, C1-C4-alkoxy-C1-C4-alkyl, C1-C4-halogenalkoxy-C1-C4-alkyl, C3-C4-alkenyloxy-C1-C4-alkyl, C3-C4-alkinyloxy-C1-C4-alkyl, C3-C8-cycloalkyloxy-C1-C4-alkyl, amino-C1-C4-alkyl, C1-C4-alkylamino-C1-C4-alkyl, di(C1-C4-alkyl)amino-C1-C4-alkyl, C1-C4-alkylthio-C1-C4-alkyl, C1-C4-halogenalkylthio-C1-C4-alkyl, C3-C4-alkenylthio-C1-C4-alkyl, C3-C4-alkinylthio-C1-C4-alkyl, C1-C4-alkylsulphinyl-C1-C4-alkyl, C1-C4-halogenalkylsulphinyl-C1-C4-alkyl, C3-C4-alkenylsulphinyl-C1-C4-alkyl, C3-C4-alkinylsulphinyl-C1-C4-alkyl, C1-C4-alkylsulfonyl-C1-C4-alkyl, C1-C4-halogenalkylsulfonyl-C1-C4-alkyl, C3-C4-alkenylsulfonyl-C1-C4-alkyl, C3-C4-alkinylsulfonyl-C1-C4-alkyl, C3-C6-alkenyl, cyano-C3-C6-alkenyl, C3-C6-halogenalkenyl, C3-C6-alkinyl, cyano-C3-C6-alkinyl, C3-C6-halogenalkinyl, (C1-C4-alkyl)carbonyl, (C1-C4-halogenalkyl)carbonyl, (C1-C4-alkoxy)carbonyl, H2NCO, (C1-C4-alkyl)NHCO; (C1-C4-alkyl)2NCO, (C1-C4-alkoxy-C1-C4-alkyl)carbonyl, C1-C4-alkyl-SO2, C1-C4-halogenalkyl-SO2, (C1-C4-alkyl)carbonyl-C1-C4-alkyl, (C1-C4-halogenalkyl)-carbonyl-C1-C4-alkyl, (C3-C8-cycloalkyl)carbonyl-C1-C4-alkyl, (C1-C4-alkoxy)imino-C1-C4-alkyl, (C3-C4-alkenyloxy)imino-C1-C4-alkyl, hydroxycarbonyl-C1-C4-alkyl, optionally substituted (C1-C4-alkoxy)carbonyl-C1-C4-alkyl, (C1-C4-halogenalkoxy)carbonyl-C1-C4-alkyl, (C1-C4-alkylthio)carbonyl-C1-C4-alkyl, H2NCO-C1-C4-alkyl, (C1-C4-alkylamino)carbonyl-C1-C4-alkyl, di(C1-C4-alkyl)aminocarbonyl-C1-C4-alkyl, optionally substituted C3-C8-cycloalkyl, C3-C8-cycloalkyl-C1-C4-alkyl, phenyl, phenyl-C1-C4-alkyl, 3-7-membered heterocyclyl or heterocyclyl-C1-C4-alkyl, whereas all cycloalkyl or heterocyclyl rings may contain CO or CS; X stands for a bond, -C$m(Z)C-, *-CH2-CH(R8)- or *-CH=C(R8)- (asterisk = bond to the phenyl ring; R8 = H, CN, NO2, halogen, C1-C4-alkyl, C1-C4-halogenalkyl); and Y = O, S}
• SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0763025A1

  公开（公告）日：1997-03-19
• 5-PYRAZOLYLBENZOSÄURE-DERIVATE ALS HERBIZIDE
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0836593A1

  公开（公告）日：1998-04-22
• SUBSTITUIERTE 3-PHENYLPYRAZOLE
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0915853A1

  公开（公告）日：1999-05-19