1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl-N-((S)-α-methylbenzyl)amino]-but-1-ene | 1206684-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl-N-((S)-α-methylbenzyl)amino]-but-1-ene
• CAS: 1206684-21-0
• 化学式: C₁₇H₂₁F₆NS
• 分子量: 385.417
• InChiKey: DPMRLVVQSCBIJW-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl-N-((S)-α-methylbenzyl)amino]-but-1-ene 在 叔丁基过氧化氢 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 N-methyl,N-((S)-α-methylbenzyl)-2,3,3,4,4,4-hexafluorobutaneamide 、 N-methyl,N-((S)-α-methylbenzyl)-2,3,3,4,4,4-hexafluorobutaneamide
  参考文献：
  名称：

  Oxidation and chlorination reactions of perfluoroketene-N,S-acetals

  摘要：

  The paper presents the results of the investigation of oxidation and chlorination reactions of perfluoroketene-N,S-acetals. Oxidation reactions of perfluoroketene-N,S-acetals proved to be dependent on the nature of oxidizing agent and led to the formation of corresponding sulfone in the case of m-chloroperbenzoic acid or amides of alpha-H-perfluoroalkane carboxylic acids in the case of tert-butyl hydroperoxide or hydrogen peroxide. Reaction of 1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl,N-((S)-alpha-methylbenzyl)amino]-but-1-ene with sulfuryl chloride demonstrated the chlorination of perfluoroketene-N,S-acetals as a new approach in the synthesis of chiral alpha-chloro perfluoroalkane carboxylic acid amides. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2009.06.019
• 作为产物：
  描述：

  N-methyl-N-((S)-α-methylbenzyl)-2,2,3,3,4,4,4-heptafluorobutanethioamide 、 叔丁基锂 以 四氢呋喃 、 正戊烷 为溶剂， 以93%的产率得到1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl-N-((S)-α-methylbenzyl)amino]-but-1-ene
  参考文献：
  名称：

  Oxidation and chlorination reactions of perfluoroketene-N,S-acetals

  摘要：

  The paper presents the results of the investigation of oxidation and chlorination reactions of perfluoroketene-N,S-acetals. Oxidation reactions of perfluoroketene-N,S-acetals proved to be dependent on the nature of oxidizing agent and led to the formation of corresponding sulfone in the case of m-chloroperbenzoic acid or amides of alpha-H-perfluoroalkane carboxylic acids in the case of tert-butyl hydroperoxide or hydrogen peroxide. Reaction of 1-tert-butylsulfanyl-2,3,3,4,4,4-hexafluoro-1-[N-methyl,N-((S)-alpha-methylbenzyl)amino]-but-1-ene with sulfuryl chloride demonstrated the chlorination of perfluoroketene-N,S-acetals as a new approach in the synthesis of chiral alpha-chloro perfluoroalkane carboxylic acid amides. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2009.06.019