trans-4-Thiophenoxy-1,1,1-trifluoro-3-buten-2-one

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: trans-4-Thiophenoxy-1,1,1-trifluoro-3-buten-2-one
• 英文别名: (E)-1,1,1-trifluoro-4-phenylsulfanylbut-3-en-2-one
• 化学式: C₁₀H₇F₃OS
• 分子量: 232.226
• InChiKey: XCGVOKQYPYNCFV-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯基乙烯基硫醚 、 氘代氯仿 生成 trans-4-Thiophenoxy-1,1,1-trifluoro-3-buten-2-one
  参考文献：
  名称：

  HOJO, MASARU;MASUDA, RYOICHI;KAMITORI, YASUHIRO;OKADA, ETSUJI, J. ORG. CHEM., 56,(1991) N, C. 1975-1976

  摘要：

  DOI：

文献信息

• Addition-Elimination Reaction in the Trifluoroacetylation of Electron-Rich Olefins
  作者：Takeshi Moriguchi、Takeshi Endo、Toshikazu Takata

  DOI：10.1021/jo00116a045

  日期：1995.6

  Reactions of electron-rich olefins such as vinyl ether 1 and vinyl sulfide 2 with trifluoroacetic anhydride in carbon tetrachloride at room temperature proceeded by the formation of addition products 7 and 8, respectively, which were identified as stable intermediates by H-1 NMR and IR spectra, eventually giving the, corresponding trifluoroacetylated olefins 5 and 6 as substitution products. These reactions were also observed in chloroform and dichloromethane in the absence. of base, such as pyridine. These results supported the addition-elimination mechanism. The processes of the addition and elimination were confirmed by the H-1 NMR spectrum and kinetic study which led to the following results: The addition products 7 and 8 were formed through a stepwise trans addition, and the trifluoroacetylated olefins 5 and 6 were self-catalytically formed from the addition products 7 and 8 through Ei, E2, or E1, depending on the stability of the cationic intermediates 3 and 4.
• HOJO, MASARU;MASUDA, RYOICHI;KAMITORI, YASUHIRO;OKADA, ETSUJI, J. ORG. CHEM., 56,(1991) N, C. 1975-1976
  作者：HOJO, MASARU、MASUDA, RYOICHI、KAMITORI, YASUHIRO、OKADA, ETSUJI

  DOI：——

  日期：——