| 1394064-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1394064-61-9
• 化学式: C₁₈H₂₂O₂PS₂*Na
• 分子量: 388.467
• InChiKey: SJRMHCPRQOGGKW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  在 sodium 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以88.6%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of O,O'-Bis(α-Naphthyl, β-Naphthyl, and 2, 3, 5-Trimethylphenyl)Dithiophosphate Ligands

  摘要：

  O,O'-Bis(alpha-Naphthyl, beta-Naphthyl and 2,3,5-trimethylphenyl) dithiophosphate ligands have been isolated as triethylammonium salts, (alpha-C10H7O-, beta-C10H7O, and (CH3)(3)C6H2O)(2)PS2HNEt3, by the reaction of alpha-C10H7OH, beta-C10H7OH, or (CH3)(3)C6H2OH with P2S5 in presence of Et3N, in 4:1:2 molar ratio in chloroform under anhydrous conditions. Acidic form of these ligands, (alpha-C10H7O-, beta-C10H7O-, or (CH3)(3)C6H2O)(2)PS2H, have been obtained by the direct reaction of alpha-C10H7OH, beta-C10H7OH-, or (CH3)(3)C6H2OH with P2S5 in 4:1 molar ratio in presence of microwaves under solvent-free conditions. Both forms of the ligands have been converted into corresponding sodium salts, (alpha-C10H7O-, beta-C10H7O-, or (CH3)(3)C6H2O)(2)PS2Na. These compounds have been characterized by elemental analyses (C, H, N, and S) and mass, IR, and NMR (H-1, C-13 and P-31) spectroscopic studies.Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  DOI：

  10.1080/10426507.2012.680081