2,2,3,3,4,4,5,5-octafluoro-N-[2-(heptafluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-yl]pentanamide | 1384866-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: 2,2,3,3,4,4,5,5-octafluoro-N-[2-(heptafluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-yl]pentanamide
• CAS: 1384866-48-1
• 化学式: C₁₅H₁₂F₁₅NOS
• 分子量: 539.308
• InChiKey: QBNZDPPBJJZVAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2,2,3,3,4,4,5,5-octafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)-pentanamide 、 2,3-二甲基-1,3-丁二烯 以 氯仿 为溶剂， 反应 2.0h， 以50%的产率得到2,2,3,3,4,4,5,5-octafluoro-N-[2-(heptafluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-yl]pentanamide
  参考文献：
  名称：

  Acylation of primary polyfluoroalkanethioamides

  摘要：

  The reaction conditions and the nature of acyl chloride strongly influence the outcome of the primary polyfluoroalkanethioamides acylation. Preparation of NH-acetyl polyfluoroalkanethioamides was achieved conducting the reactions in acetonitrile at -20 degrees C in the presence of pyridine. The reactions of polyfluoroalkanethioamides with 5-hydroperfluoropentanoyl chloride are efficient for the synthesis of NH-acyl derivatives when they were carried out in the absence of a base under heating at 100 degrees C. The obtained NH-acyl polyfluoroalkanethioamides enter into cycloaddition reactions with 2,3-dimethylbutadiene at room temperature. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.05.008