Bis(pentafluorophenylthio)dichloromethane | 137730-95-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Bis(pentafluorophenylthio)dichloromethane
• 英文别名: di(pentafluorophenylthio)dichloromethane；1-[Dichloro-(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]sulfanyl-2,3,4,5,6-pentafluorobenzene
• CAS: 137730-95-1
• 化学式: C₁₃Cl₂F₁₀S₂
• 分子量: 481.165
• InChiKey: FSHDMVFGXASYLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  259.7±40.0 °C(Predicted)
• 密度：
  1.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Bis(pentafluorophenylthio)dichloromethane 在 chromium(VI) oxide 、 溶剂黄146 、 cesium fluoride 作用下， 反应 25.0h， 生成 1-[Chloro-fluoro-(2,3,4,5,6-pentafluorophenyl)sulfinylmethyl]sulfanyl-2,3,4,5,6-pentafluorobenzene
  参考文献：
  名称：

  Fluoro-organic sulphur-containing compounds. IV. Haloalkylation reactions of polyfluorinated thiophenols with CHal3R compounds in the presence of AlCl3

  摘要：

  The haloalkylation of polyfluorothiophenols with CHal(3)R compounds (Hal=Cl, F; R=Cl, H, C6H5, C6F5) in the presence of AlCl3 has been investigated. The reactions of polyfluorothiophenols 4-XC6F4SH (X=F, H, CH3) with CCl4 and AlCl3 lead to dichloromethane derivatives (4-XC6F4S)(2)CCl2. The reaction of pentafluorothiophenol with CHCl3 in the presence of AlCl3 gave (C6F5S)(2)CHCl and (C6F5S)(3)CH (ratio by GLC 8:1). In the reaction of pentafluorothiophenol with ArCX3 (Ar=C6H5, C6F5; X=Cl, Fl compounds (C6F5S)(2)CClAr (Ar=C6H5, C6F5) together with C6F5SCCl2Ar (Ar=C6H5. C6F5) are formed. Peculiarities of these processes are considered. The hydrolysis of (C6F5S)(2)CCl2 and C6F5SCCl2C6H5 leads to bis(pentafluorophenyl)dithiocarbonate and the S-(pentafluorophenyl) ester of thiobenzoic acid, respectively. Compounds (C6F5S)(2)CF2 and (C6F5S)(2)CClF were obtained from (C6F5S)(2)CCl2 by the action of caesium fluoride. An attempt to produce these compounds through the action of antimony fluorides was unsuccessful. The compounds (C6F5S)(2)CCl2, (C6F5S)(2)CClF and (C6F5S)(2)CF2 are stable to oxidation. The reactions of (C6F5S)(2)CF2 and (C6F5S)(2)CClF with CrO3 in acetic acid proceeded only with the formation of mono-sulphoxide. The conversion is low in the former case. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00080-9
• 作为产物：
  描述：

  四氯化碳 、 五氟苯硫酚 在 三氯化铝 作用下， 反应 6.0h， 以60%的产率得到Bis(pentafluorophenylthio)dichloromethane
  参考文献：
  名称：

  Chloroalkylation of pentafluorothiophenol in the presence of AlCl3

  摘要：

  DOI：

  10.1007/bf01172290

文献信息

• PETROVA, T. D.;PLATONOV, V. E.;MAKSIMOV, A. M.;POPOVA, I. S., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1938-1939
  作者：PETROVA, T. D.、PLATONOV, V. E.、MAKSIMOV, A. M.、POPOVA, I. S.

  DOI：——

  日期：——