N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)acetamide | 1384866-36-7

• 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: N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)acetamide
• CAS: 1384866-36-7
• 化学式: C₆H₄F₇NOS
• 分子量: 271.159
• InChiKey: UTGRYBZHBPOTSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)acetamide 、 2,3-二甲基-1,3-丁二烯 以 氯仿 为溶剂， 反应 2.0h， 以72%的产率得到N-[(2-heptafluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-yl]-acetamide
  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 、 乙酰氯 在 吡啶 作用下， 以 乙腈 为溶剂， 以65%的产率得到N-(2,2,3,3,4,4,4-heptafluorobutanethioyl)acetamide
  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