3-Hydroxy-5-(ω-chlorooctafluorobutyl)pyrazole

• 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-Hydroxy-5-(ω-chlorooctafluorobutyl)pyrazole
• 英文别名: 5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-1,2-dihydropyrazol-3-one
• 化学式: C₇H₃ClF₈N₂O
• 分子量: 318.554
• InChiKey: COOWRBFMLIKBFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (Z)-7-Chloro-4,4,5,5,6,6,7,7-octafluoro-2-iodo-hept-2-enoic acid ethyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以80%的产率得到3-Hydroxy-5-(ω-chlorooctafluorobutyl)pyrazole
  参考文献：
  名称：

  Synthesis of 3-hydroxy-5-per(poly)fluoroalkyl pyrazoles

  摘要：

  Treatment of ethyl alpha-per(poly)fluoroalkyl acetates 1 or ethyl alpha-iodo-beta-per(poly) fluoroalkyl acrylates 2 with hydrazine gives 3-hydroxy-5-per(poly)fluoroalkyl pyrazoles 3 in excellent yield. The effect of halogens on the pert polyfluoroalkyl chain and the reaction conditions were studied.

  DOI：

  10.1016/0022-1139(95)03292-l

文献信息

• Synthesis of 3-hydroxy-5-per(poly)fluoroalkyl pyrazoles
  作者：Qiao-Sheng Hu、Hui-Ping Guan、Chang-Ming Hu

  DOI：10.1016/0022-1139(95)03292-l

  日期：1995.11

  Treatment of ethyl alpha-per(poly)fluoroalkyl acetates 1 or ethyl alpha-iodo-beta-per(poly) fluoroalkyl acrylates 2 with hydrazine gives 3-hydroxy-5-per(poly)fluoroalkyl pyrazoles 3 in excellent yield. The effect of halogens on the pert polyfluoroalkyl chain and the reaction conditions were studied.