3-(Difluoromethyl)-1-methyl-4-prop-2-enylpyrazole

• 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-methyl-4-prop-2-enylpyrazole
• 英文别名: 3-(difluoromethyl)-1-methyl-4-prop-2-enylpyrazole
• 化学式: C₈H₁₀F₂N₂
• 分子量: 172.18
• InChiKey: WYFCWWXOUVHXQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• PREPARATION OF ALKYL 3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ESTER
  申请人：Kingchem, LLC

  公开号：EP2951145A1

  公开（公告）日：2015-12-09
• [EN] PREPARATION OF ALKYL 3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ESTER<br/>[FR] PRÉPARATION D'ESTER D'ACIDE ALKYL-3-DIFLUOROMÉTHYL-1-MÉTHYL-1H-PYRAZOLE-4-CARBOXYLIQUE
  申请人：KINGCHEM LLC

  公开号：WO2014120397A1

  公开（公告）日：2014-08-07

  The present disclosure provides a novel and economically advantageous process for preparation of compounds of Formula I, such as alkyl 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid ester. The process includes acidification of the sodium enolate of alkyl difluoroacetoacetate by carbonic acid generated in situ by reacting carbon dioxide with water. The disclosure also includes promoting the ring closure reaction in which alkyl 2-alkomethylene-4, 4-difluoro-3-oxobutyrate is reacted with methylhydrazine in two phase system with a weak base such as Na2CO3 or K2CO3.