Methylsulfur trifluoride | 65082-47-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: Methylsulfur trifluoride
• 英文别名: Methyltrifluorsulfuran；Trifluoromethylsulfurane；trifluoro(methyl)-λ4-sulfane
• CAS: 65082-47-5
• 化学式: CH₃F₃S
• 分子量: 104.096
• InChiKey: RJFSDTDWWBECIL-UHFFFAOYSA-N

物化性质

• 熔点：
  -76 °C
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methylsulfur trifluoride 在 silica gel 作用下， 生成 甲基磺酰氟
  参考文献：
  名称：

  Synthesis, physical characterisation and chemical properties of methylsulphur trifluoride, CH3SF3

  摘要：

  Methylsulphur trifluoride, CH3SF3, has been synthesised by the reaction between AgF2 and a solution of CH3SCl in CCl3F. It is a clear, viscous liquid which attacks glass, is hydrolysed rapidly, and decomposes at ambient temperatures to give CH2FSF3 and CH2FSSCH2F. The compound has been characterised by its H-1 and F-19 NMR and vibrational spectra, and a partial vibrational assignment is proposed. The chemistry of CH3SF3 is akin to that of SF4. Thus, it functions as a fluoride ion donor much more readily than as a fluoride ion acceptor. It reacts with Pyrex glass to give CH3S(O)F, is hydrolysed to CH3S(O)OH, and effects O-F exchange with acetone to yield 2,2-difluoropropane.

  DOI：

  10.1039/dt9910000081
• 作为产物：
  描述：

  氯硫基甲烷 在 silver(II) fluoride 、 cesium fluoride 作用下， 以 一氟三氯甲烷 为溶剂， 生成 Methylsulfur trifluoride
  参考文献：
  名称：

  Synthesis, physical characterisation and chemical properties of methylsulphur trifluoride, CH3SF3

  摘要：

  Methylsulphur trifluoride, CH3SF3, has been synthesised by the reaction between AgF2 and a solution of CH3SCl in CCl3F. It is a clear, viscous liquid which attacks glass, is hydrolysed rapidly, and decomposes at ambient temperatures to give CH2FSF3 and CH2FSSCH2F. The compound has been characterised by its H-1 and F-19 NMR and vibrational spectra, and a partial vibrational assignment is proposed. The chemistry of CH3SF3 is akin to that of SF4. Thus, it functions as a fluoride ion donor much more readily than as a fluoride ion acceptor. It reacts with Pyrex glass to give CH3S(O)F, is hydrolysed to CH3S(O)OH, and effects O-F exchange with acetone to yield 2,2-difluoropropane.

  DOI：

  10.1039/dt9910000081

文献信息

• Preparation of NHC Stabilized Al(III)fluorides: Fluorination of [(SIMes)AlMe ₃ ] with SF ₄ or Me ₃ SnF
  作者：Pooja Tomar、Thomas Braun、Erhard Kemnitz

  DOI：10.1002/ejic.201900921

  日期：2019.11.30

  Various reaction routes have been developed to synthesize the N‐heterocyclic carbene (NHC) stabilized Al(III) fluorides [(SIMes)Al(F)3] (2) and [(SIMes)Al(F)Me2] (3) through fluorination of [(SIMes)AlMe3] (1) (SIMes: 1,3‐bis(2,4,6‐trimethylphenyl)‐imidazolidin‐2‐ylidene) with fluorinating agents such as SF4, SF6 and Me3SnF. The reactivity of 2 was investigated towards a F/Cl exchange reaction by treating

  已开发出各种反应路线来合成N杂环卡宾（NHC）稳定的Al（III）氟化物[（SIMes）Al（F）3 ]（2）和[（SIMes）Al（F）Me 2 ]（3）通过氟化剂（SF 4，SF 6和Me 3）氟化[（SIMes）AlMe 3 ]（1）（SIMes：1,3-二（2,4,6-三甲基苯基）-咪唑烷基-2-亚甲基）进行氟化SNF。通过用Me 3 SiCl处理，研究了2对F / Cl交换反应的反应性。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.2, 6.2.1.6.4.1, page 114 - 117
  作者：

  DOI：——

  日期：——
• Bildungsweisen des methyltrifluorsulfurans, methylsulfinylfluorids und methyl (trifluormethyl) disulfans
  作者：W. Gombler、R. Budenz

  DOI：10.1016/s0022-1139(00)83988-3

  日期：1976.1
• Downs, Anthony J.; Forster, Alan M.; McGrady, G. Sean, Journal of the Chemical Society, Dalton Transactions
  作者：Downs, Anthony J.、Forster, Alan M.、McGrady, G. Sean、Taylor, Ben J.

  DOI：——

  日期：——
• Synthesis, physical characterisation and chemical properties of methylsulphur trifluoride, CH3SF3
  作者：Anthony J. Downs、Alan M. Forster、G. Sean McGrady、Ben J. Taylor

  DOI：10.1039/dt9910000081

  日期：——

  Methylsulphur trifluoride, CH3SF3, has been synthesised by the reaction between AgF2 and a solution of CH3SCl in CCl3F. It is a clear, viscous liquid which attacks glass, is hydrolysed rapidly, and decomposes at ambient temperatures to give CH2FSF3 and CH2FSSCH2F. The compound has been characterised by its H-1 and F-19 NMR and vibrational spectra, and a partial vibrational assignment is proposed. The chemistry of CH3SF3 is akin to that of SF4. Thus, it functions as a fluoride ion donor much more readily than as a fluoride ion acceptor. It reacts with Pyrex glass to give CH3S(O)F, is hydrolysed to CH3S(O)OH, and effects O-F exchange with acetone to yield 2,2-difluoropropane.