bis(o-trifluoromethylphenyl)dithiophosphinic methyl ester | 1306721-52-7

• 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: bis(o-trifluoromethylphenyl)dithiophosphinic methyl ester
• 英文别名: Methylsulfanyl-sulfido-bis[2-(trifluoromethyl)phenyl]phosphanium；methylsulfanyl-sulfido-bis[2-(trifluoromethyl)phenyl]phosphanium
• CAS: 1306721-52-7
• 化学式: C₁₅H₁₁F₆PS₂
• 分子量: 400.349
• InChiKey: XZOWGJYIEKYJFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  甲醇 、 bis[o-(trifluoromethyl)phenyl]dithiophosphinate 反应 336.0h， 生成 bis(o-trifluoromethylphenyl)dithiophosphinic methyl ester
  参考文献：
  名称：

  Bis(o-trifluoromethylphenyl)dithiophosphinic methyl ester

  摘要：

  When bis(o-trifluoromethylphenyl) dithiophosphinic acid (1) is dissolved in methanol, crystals of bis(o-trifluoromethylphenyl) dithiophosphinic methyl ester (2) are formed. The structure of dithiophosphinic methyl ester (2) has been characterized via single-crystal X-ray diffraction and multinuclear NMR studies. Compound 2 is remarkable in that the dithiophosphinic (PS(2)) core is preserved during this transformation. The transformation to 2 suggests that the o-trifluoromethylphenyl groups on phosphorus assist in retaining the PS(2) core, possibly by steric hindrance. Published by Elsevier B. V.

  DOI：

  10.1016/j.ica.2011.01.023