2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)-7-methyl-chromen-4-one | 155445-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)-7-methyl-chromen-4-one
• 英文别名: 2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-7-methyl-4H-1-benzopyran-4-one；2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-7-methylchromen-4-one
• CAS: 155445-01-5
• 化学式: C₁₅H₇ClF₁₀O₂
• 分子量: 444.656
• InChiKey: ZLLZVLPPDHUNGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (Z)-8-Chloro-4,4,5,5,6,6,7,7,8,8-decafluoro-3-m-tolyloxy-oct-2-enoic acid ethyl ester 在 PPA 作用下， 反应 10.0h， 生成 2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)-5-methyl-chromen-4-one 、 2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)-7-methyl-chromen-4-one
  参考文献：
  名称：

  A facile synthesis of fluoroalkylated chromones and their analogues from 2,2-dihydropolyfluoroalkanoates

  摘要：

  Fluoroalkylated chromones and their analogues have been prepared in good yield by the Michael addition reactions of 2,2-dihydropolyfluoroalkanoates with phenols in the presence of triethylamine, followed by acid-catalyzed intramolecular ring-closure.

  DOI：

  10.1016/0022-1139(93)02913-y

文献信息

• A facile synthesis of fluoroalkylated chromones and their analogues from 2,2-dihydropolyfluoroalkanoates
  作者：Wei-Yuan Huang、Yan-Song Liu、Long Lu

  DOI：10.1016/0022-1139(93)02913-y

  日期：1994.3

  Fluoroalkylated chromones and their analogues have been prepared in good yield by the Michael addition reactions of 2,2-dihydropolyfluoroalkanoates with phenols in the presence of triethylamine, followed by acid-catalyzed intramolecular ring-closure.