InChI=1/C2H6BCl/c1-2-3-4/h3H,2H2,1H | 87115-49-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: InChI=1/C2H6BCl/c1-2-3-4/h3H,2H2,1H
• 英文别名: chloro(ethyl)borane
• CAS: 87115-49-9
• 化学式: C₂H₆BCl
• 分子量: 76.3336
• InChiKey: RXFYAKUIVRTIIC-UHFFFAOYSA-N

物化性质

• 沸点：
  35.4±23.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  乙烯 、 chloroborane methyl sulfide complex 、 三氯化硼 以 正戊烷 为溶剂， 以90%的产率得到氯-二乙基-硼烷
  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

文献信息

• Diethyl(di-tert-butylphosphino)borane and related compounds: the first stable monomeric tetraalkyl phosphinoborane
  作者：Thomas J. Groshens、Kelvin T. Higa、Robin Nissan、Raymond J. Butcher、Alan J. Freyer

  DOI：10.1021/om00032a011

  日期：1993.8

  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.