bis(diisopropylamino)phosphine oxide | 135961-77-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: bis(diisopropylamino)phosphine oxide
• CAS: 135961-77-2
• 化学式: C₁₉H₃₃F₃N₃O₃PS
• 分子量: 471.524
• InChiKey: UXJUGPYBLKYESJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  60.93
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  双二异丙基氨基氯化磷 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 bis(diisopropylamino)phosphine oxide
  参考文献：
  名称：

  Covalent alternatives for the elusive iminophosphonium cation. Crystal structures of PCl(NPrⁱ₂)₂NPh·AlCl₃and P(NPrⁱ₂)₂[NPh(SO₂CF₃)]O

  摘要：

  Reactions between diaminoiminophosphinic chlorides and the chloride-abstracting agents AlCl3 and Ag(SO3CF3) have been comprehensively examined as potential routes to the three-co-ordinate iminophosphonium cation. However, bis(dialkylamino)(phenylimino)phosphinic chlorides react to give the covalent phosphoryl systems PCl(NR2)2NPh.AlCl3 and P(NR2)2[NPh(SO2CF3)]O respectively, in quantitative yield. The AlCl3 complexes are also prepared quantitatively from the reaction of P(NPr(i)2)2+AlCl4- with PhN3 (Staudinger reaction). All compounds have been comprehensively characterised and the structures of the isopropyl derivatives confirmed by X-ray crystallography. Crystal data: PCl(NPr(i)2)2NPh.AlCl3, space group P2(1), a = 8.719(2), b = 15.553(2), c = 9.509(2) angstrom, beta = 102.73(2)-degrees, Z = 2, R = 0.029; P(NPr(i)2)2[NPh(SO2CF3)]O, space group P2(1)/n, a = 10.594(3), b = 13.222(2), c = 17.084(3) angstrom, beta = 97.71(2)-degrees, Z = 4, R = 0.048. The results indicate that the three-co-ordinate diaminoiminophosphonium cation is thermodynamically unstable with respect to the observed alternative covalent structures, and that steric shielding is responsible for the stability of the analogous diaminomethylenephosphonium cation.

  DOI：

  10.1039/dt9910001615