3,5-difluoro-1,2-dimethyl-3H-pyrazole-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3,5-difluoro-1,2-dimethyl-3H-pyrazole-4-carboxylic acid
• 化学式: C₆H₈F₂N₂O₂
• 分子量: 178.14
• InChiKey: NQIFMGGHBLFIIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  12
• 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：
  43.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• METHOD FOR PRODUCING 3,5-BIS(FLUOROALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUOROALKYL)-PYRAZOLES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150011779A1

  公开（公告）日：2015-01-08

  The present invention relates to novel 3,5-bis(fluoroalkyl)pyrazole-4-carboxylic acid derivatives and to a process for preparing 3,5-bis(fluoroalkyl)pyrazole-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)pyrazoles.

  本发明涉及新型3,5-双(氟烷基)吡唑-4-羧酸衍生物以及制备3,5-双(氟烷基)吡唑-4-羧酸衍生物和3,5-双(氟烷基)吡唑的方法。
• [EN] PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES<br/>[FR] PROCÉDURE DE DÉCARBOXYLATION DE DÉRIVÉS D'ACIDE 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIQUE
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2014033164A1

  公开（公告）日：2014-03-06

  A new process for the preparation of 3,5-bis(haloalkyl)-pyrazole derivatives of the general formula (I), is described, resulting from the reaction of 3,5-bis(haloalkyl)-pyrazole-4-carboxylic acid derivatives of the general formula (IIa) with a copper compound and a base at elevated temperature wherein R1 is selected from H, C1-12-alkyl, C3-8-cycloalkyl, C6-18-aryl, C7-19-arylalkyl or C7-19-alkylaryl, CH2CN, CH2CX3, CH2COOH, CH2COO(C1-12)-alkyl, and X is independently of each other F, Cl, Br, I; R2 and R3 are selected independently of each other from C1-C6-haloalkyl.

  介绍了一种新的制备通式为（I）的3,5-双（卤代烷基）-吡唑衍生物的方法，其结果是将通式为（IIa）的3,5-双（卤代烷基）-吡唑-4-羧酸衍生物与铜化合物和碱在高温下反应，其中R1从H，C1-12-烷基，C3-8-环烷基，C6-18-芳基，C7-19-芳基烷基或C7-19-烷基芳基，CH2CN，CH2CX3，CH2COOH，CH2COO（C1-12）-烷基中选择，而X独立地为F、Cl、Br、I；R2和R3独立地从C1-C6卤代烷基中选择。
• PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150225350A1

  公开（公告）日：2015-08-13

  A new process for the preparation of 3,5-bis(haloalkyl)-pyrazole derivatives of the general formula (I) is described, resulting from the reaction of 3,5-bis(haloalkyl)-pyrazole-4-carboxylic acid derivatives of the general formula (Ha) with a copper compound and a base at elevated temperature wherein R 1 is selected from H, C 1-12 -alkyl, C 3-8 -cycloalkyl, C 6-18 -aryl, C 7-19 -arylalkyl or C 7-19 -alkylaryl, CH 2 CN, CH 2 CX 3 , CH 2 COOH, CH 2 COO(C 1-12 )-alkyl, and X is independently of each other F, Cl, Br, I; R 2 and R 3 are selected independently of each other from C 1 -C 6 -haloalkyl.

  本文描述了一种制备通式（I）的3,5-双（卤代烷基）-吡唑衍生物的新工艺，该工艺是通过在升高温度下将通式（Ha）的3,5-双（卤代烷基）-吡唑-4-羧酸衍生物与铜化合物和碱反应而得到的。其中，R1从H、C1-12-烷基、C3-8-环烷基、C6-18-芳基、C7-19-芳基烷基或C7-19-烷基芳基、CH2CN、CH2CX3、CH2COOH、CH2COO（C1-12）-烷基中选择，X独立选择为F、Cl、Br、I；R2和R3独立选择为C1-C6-卤代烷基。
• Method for producing 3,5-bis(fluoroalkyl)-pyrazol-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)-pyrazoles
  申请人：BAYER CROPSCIENCE AG

  公开号：US10035773B2

  公开（公告）日：2018-07-31

  The present invention relates to novel 3,5-bis(fluoroalkyl)pyrazole-4-carboxylic acid derivatives and to a process for preparing 3,5-bis(fluoroalkyl)pyrazole-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)pyrazoles.

  本发明涉及新型 3,5-双（氟烷基）吡唑-4-羧酸衍生物，以及制备 3,5-双（氟烷基）吡唑-4-羧酸衍生物和 3,5-双（氟烷基）吡唑的工艺。
• US9145370B2
  申请人：——

  公开号：US9145370B2

  公开（公告）日：2015-09-29