[Li(OEt2)3][Ph2P(B(C6F5)3)(η2-BH3)] | 1196878-80-4

• 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: [Li(OEt2)3][Ph2P(B(C6F5)3)(η2-BH3)]
• 英文别名: [Li(diethyl ether)3][(diphenylphosphide)(B(pentafluorophenyl)3)(B(hydride)3)]；lithium;[boranuidyl(diphenyl)phosphaniumyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;ethoxyethane
• CAS: 1196878-80-4
• 化学式: C₄₂H₄₃B₂F₁₅LiO₃P
• 分子量: 940.314
• InChiKey: TZDPVKVHXDNXRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.82
• 重原子数：
  64
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  diphenylphosphineborane 以 乙醚 为溶剂， 生成 [Li(OEt2)3][Ph2P(B(C6F5)3)(η2-BH3)]
  参考文献：
  名称：

  Synthesis, Structure, and Stability of Adducts between Phosphide and Amide Anions and the Lewis Acids Borane, Tris(pentafluorophenyl)borane, and Tris(pentafluorophenyl)alane

  摘要：

  The phosphinoborane adduct H3P center dot B(C6F5)(3) can be deprotonated using LiN(SiMe3)(2) to give the phosphidoborate salt Li[H2PB(C6F5)(3)], which was converted to the phosphidodiborates Li[H2P{B(C6F5)(3)}(2)] and Li[H2P{B(C6F5)(3)}{BH3}] by treatment with an equivalent of B(C6F5)(3) or Me2S center dot BH3, respectively. A series of anions of the form [RR'P{M(C6F5)(3)}{BH3}](-), where R = R' = Ph or R= Bu-t, R' = H, and M = B or Al, were prepared (through treatment of salts Li[RR'P(BH3)] with the corresponding Lewis acid) and characterized using multinuclear NMR elemental analysis and X-ray crystallography. The solid state structures of [Li(Et2O)(x)][Ph2P{M(C6F5)(3)}{BH3}] exhibit eta(2)-bonding of the BH3 group to the cationic lithium center. The attempted preparation of an analogous series with amide cores of the form [R2N{B(C6F5)(3)}{BH3}](-) proved unsuccessful; among the competing reaction pathways hydride abstraction occurred preferentially to yield Li[HB(C6F5)(3)] and dimers or higher oligorners with the composition (R2NBH2)(n).

  DOI：

  10.1021/ic901799q