{dimethyl(bis(trimethylsilyl)phosphino)borane} | 149160-41-8

• 英文名称: {dimethyl(bis(trimethylsilyl)phosphino)borane}
• CAS: 149160-41-8
• 化学式: C₁₆H₄₈B₂P₂Si₄
• 分子量: 436.469
• InChiKey: USDPJJVSOXTBEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  {dimethyl(bis(trimethylsilyl)phosphino)borane} 以 氘代甲苯 为溶剂， 生成 bis(trimethylsilyl)-phosphinyl-dimethyl-boran
  参考文献：
  名称：

  二乙基（二叔丁基膦基）硼烷及相关化合物：第一个稳定的单体四烷基膦基硼烷

  摘要：

  Four new phosphinoborane compounds were prepared and characterized by H-1, C-13, P-31, and B-11 NMR spectroscopy and elemental analysis. Monomeric Et2BP(t-Bu)2 Was isolated as a volatile yellow liquid and [Me2BP(t-Bu)2]2 as a colorless solid using salt elimination reactions. The colorless dimeric solids [Me2BP(SiMe3)2]2 and [Et2BP(SiMe3)2]2 were prepared via trimethylsilyl halide elimination reactions. The dimeric compounds dissociate in benzene or toluene at ambient temperature, and an equilibrium with the monomeric species is established. Variable-temperature H-1 NMR spectroscopy showed that DELTAH = -93 kJ/mol and DELTAS = -285 J/(mol.K) for the dimerization of Me2BP(t-Bu)2 and DELTAH = -55 +/- 12 kJ/mol and DELTAS = -166 +/- 42 J/(mol.K) for the dimerization of Me2BP(SiMe3)2. Inverse 2D H-1/C-13 correlation studies were applied to monomer-dimer solutions and were vital to assignment of C-13 resonances. Solid-state P-31 NMR confirmed that [Me2BP(t-BU)2]2 and [Me2BP(SiMe3)2]2 are dimeric solids. The structure of [Me2BP(t-BU)2]2 was determined by single-crystal X-ray diffraction. Crystal data: triclinic, space group P1BAR, a = 8.366(3) angstrom, b = 8.0808(2) angstrom, c = 9.311(2) angstrom, alpha = 74.98(2)-degrees, beta = 78.87(2)-degrees, gamma = 64.32(2)-degrees, Z = 1, and R = 0.0628.

  DOI：

  10.1021/om00032a011
• 作为产物：
  描述：

  氘代3-氨基-5-吗啉-4-甲基-恶唑-2-啉酮 、 二甲基溴化硼 以 苯 为溶剂， 以72.9%的产率得到{dimethyl(bis(trimethylsilyl)phosphino)borane}
  参考文献：
  名称：

  二乙基（二叔丁基膦基）硼烷及相关化合物：第一个稳定的单体四烷基膦基硼烷

  摘要：

  Four new phosphinoborane compounds were prepared and characterized by H-1, C-13, P-31, and B-11 NMR spectroscopy and elemental analysis. Monomeric Et2BP(t-Bu)2 Was isolated as a volatile yellow liquid and [Me2BP(t-Bu)2]2 as a colorless solid using salt elimination reactions. The colorless dimeric solids [Me2BP(SiMe3)2]2 and [Et2BP(SiMe3)2]2 were prepared via trimethylsilyl halide elimination reactions. The dimeric compounds dissociate in benzene or toluene at ambient temperature, and an equilibrium with the monomeric species is established. Variable-temperature H-1 NMR spectroscopy showed that DELTAH = -93 kJ/mol and DELTAS = -285 J/(mol.K) for the dimerization of Me2BP(t-Bu)2 and DELTAH = -55 +/- 12 kJ/mol and DELTAS = -166 +/- 42 J/(mol.K) for the dimerization of Me2BP(SiMe3)2. Inverse 2D H-1/C-13 correlation studies were applied to monomer-dimer solutions and were vital to assignment of C-13 resonances. Solid-state P-31 NMR confirmed that [Me2BP(t-BU)2]2 and [Me2BP(SiMe3)2]2 are dimeric solids. The structure of [Me2BP(t-BU)2]2 was determined by single-crystal X-ray diffraction. Crystal data: triclinic, space group P1BAR, a = 8.366(3) angstrom, b = 8.0808(2) angstrom, c = 9.311(2) angstrom, alpha = 74.98(2)-degrees, beta = 78.87(2)-degrees, gamma = 64.32(2)-degrees, Z = 1, and R = 0.0628.

  DOI：

  10.1021/om00032a011