9,9-dimethyl-4,5-bis[bis(pentafluorophenyl)phosphanyl]xanthene

• 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: 9,9-dimethyl-4,5-bis[bis(pentafluorophenyl)phosphanyl]xanthene
• 英文别名: (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(bis(perfluorophenyl)phosphine)；[5-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
• 化学式: C₃₉H₁₂F₂₀OP₂
• 分子量: 938.439
• InChiKey: GHSKHKWMEGXYDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  62
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  9,9-二甲基氧杂蒽 、 二(五氟苯基)亚膦基氯化物 在 正丁基锂 、 四甲基乙二胺 作用下， 以 Petroleum ether 、 四氢呋喃 为溶剂， 以12%的产率得到9,9-dimethyl-4,5-bis[bis(pentafluorophenyl)phosphanyl]xanthene
  参考文献：
  名称：

  Variation of Xantphos-Based Ligands in the Palladium-Catalyzed Reaction of Aryl Halides with Ureas

  摘要：

  A series of Xantphos-based ligands containing various substituents in the diphenylphosphino groups were synthesized, and their effect on the product yield and ratio in the palladium-catalyzed arylation of ureas with nonactivated aryl halides was studied. The arylation of urea and phenylurea in the presence of Pd-2(dba)(3)-CHCl3, 3,5-(CF3)(2)Xantphos, and Cs2CO3 in dioxane at 100degreesC gave the corresponding N,N'-diaryl-ureas in 62-98% yield.

  DOI：

  10.1023/b:rujo.0000019738.50339.e8