1-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-ethanone | 71118-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-ethanone
• 英文别名: 1-(5-Methyl-2-phenylpyrazol-3-yl)ethanone
• CAS: 71118-32-6
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: ZUSQGAHYAWTNKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Conversion of 2-Pyrazolines to Pyrazoles Using Bromine
  申请人：Fagan Paul Joseph

  公开号：US20080177078A1

  公开（公告）日：2008-07-24

  This invention relates to a method for preparing a compound of Formula 1 wherein L, R 1 , R 2 and X are as defined in the disclosure, comprising contacting a 2 pyrazoline of Formula 2 with bromine at a temperature of at least about 80° C. (Formula 1) (Formula 2). This invention also discloses preparation of a compound of Formula 3 wherein X, Z, R 5 , R 6 , R 7 , R 8a , R 8b and n are as defined in the disclosure, using a compound of Formula 1a wherein R 10 is as defined in the disclosure, prepared by the aforesaid method for preparing a compound of Formula 1. (Formula 3) (Formula 4).