1,1,1-trifluoro-4-(methylsulfonyl)but-3-ene-2,2-diol | 473994-49-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 1,1,1-trifluoro-4-(methylsulfonyl)but-3-ene-2,2-diol
• 英文别名: 1,1,1-Trifluoro-4-(methanesulfonyl)but-3-ene-2,2-diol；1,1,1-trifluoro-4-methylsulfonylbut-3-ene-2,2-diol
• CAS: 473994-49-9
• 化学式: C₅H₇F₃O₄S
• 分子量: 220.169
• InChiKey: LASYBWXNQYXHDV-UHFFFAOYSA-N

物化性质

• 沸点：
  455.8±45.0 °C(Predicted)
• 密度：
  1.605±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-4-(methylsulfonyl)but-3-ene-2,2-diol 在 氯化亚砜 作用下， 以 二氯甲烷 、 氘代乙腈 为溶剂， 反应 10.0h， 生成 methyl β-(trifluoroacetyl)vinyl sulfone
  参考文献：
  名称：

  摘要：

  Oxidation of beta-(trifluoroacetyl)vinyl sulfides afforded a series of the corresponding sulfones. The reactions of sulfones with various alkyl- and arylthiols were studied. These reactions provide the basis for a new procedure for the synthesis of beta-(trifluoroacetyl)vinyl sulfides.

  DOI：

  10.1023/a:1021620228529
• 作为产物：
  描述：

  methyl β-(trifluoroacetyl)vinyl sulfone 在 水 作用下， 以100%的产率得到1,1,1-trifluoro-4-(methylsulfonyl)but-3-ene-2,2-diol
  参考文献：
  名称：

  摘要：

  Oxidation of beta-(trifluoroacetyl)vinyl sulfides afforded a series of the corresponding sulfones. The reactions of sulfones with various alkyl- and arylthiols were studied. These reactions provide the basis for a new procedure for the synthesis of beta-(trifluoroacetyl)vinyl sulfides.

  DOI：

  10.1023/a:1021620228529

文献信息

• Efficient Syntheses of New CF₃-containing Diazolopyrimidines
  作者：Valentine Nenajdenko、Arcady Krasovsky、Anton Hartulyari、Elizabeth Balenkova

  DOI：10.1055/s-2002-19313

  日期：——

  A new simple and efficient way to CF3-containing pyrimido[1,2-a]benzimidazole and pyrazolo[1,5-a]pyrimidines, by the reaction of 1,1,1-trifluoro-4-sulfonyl-but-3-ene-2,2-dioles 1a,b with aminoheterocycles is described. The influence of reaction conditions and nature of the aminoheterocycles on regiochemistry was investigated.

  本文描述了一种新的简单有效的方法，通过1,1,1-三氟-4-磺酰基-3-丁烯-2,2-二醇1a,b与氨基杂环的反应，制备含CF3的嘧啶并[1,2-a]苯并咪唑和吡唑并[1,5-a]嘧啶。研究了反应条件和氨基杂环性质对反应化学的影响。
• Synthesis of New Fluorine Containing Triazolo- and Tetrazolopyrimidines
  作者：Arcady L. Krasovsky、Andrew M. Moiseev、Valentine G. Nenajdenko、Elizabeth S. Balenkova

  DOI：10.1055/s-2002-28512

  日期：——

  reaction of 1,1,1-trifluoro-4-(sulfonyl)-but-3-ene-2,2-dioles 1a,b with corresponding aminoazoles was investigated. A new simple and efficient way for the regioselective synthesis of 5-CF 3 or 7-CF 3 triazolo- and tetrazolopyrimidines is described.

  研究了 1,1,1-trifluoro-4-(sulfonyl)-but-3-ene-2,2-dioles 1a,b 与相应的氨基唑的反应。描述了一种新的简单有效的区域选择性合成 5-CF 3 或 7-CF 3 三唑并四唑嘧啶的方法。
• ——
  作者：A. L. Krasovsky、S. A. Pissarev、V. G. Nenajdenko、E. S. Balenkova

  DOI：10.1023/a:1026060805768

  日期：——

  A procedure was developed for the synthesis of previously unknown CF3-containing beta-azolyl-substituted enones by the reactions of 1,1,1-trifluoro-4-sulfonyl-3-butene-2,2-diols with various azoles. Quaternization of the azolyl group with methyl triflate afforded beta-azolium-substituted enones in quantitative yields.
• ——
  作者：A. L. Krasovsky、V. G. Nenajdenko、E. S. Balenkova

  DOI：10.1023/a:1021620228529

  日期：——

  Oxidation of beta-(trifluoroacetyl)vinyl sulfides afforded a series of the corresponding sulfones. The reactions of sulfones with various alkyl- and arylthiols were studied. These reactions provide the basis for a new procedure for the synthesis of beta-(trifluoroacetyl)vinyl sulfides.