2,2,3,3,4,4,5,5-octafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)-pentanamide | 1384866-39-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2,3,3,4,4,5,5-octafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)-pentanamide
• CAS: 1384866-39-0
• 化学式: C₉H₂F₁₅NOS
• 分子量: 457.163
• InChiKey: DCEUXZDUOCMTRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  heptafluoro-thiobutyric acid amide 、 5H-八氟氯戊醇 反应 1.0h， 以95%的产率得到2,2,3,3,4,4,5,5-octafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)-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