Arsine, (phenylborylene)bis[bis(1,1-dimethylethyl)- | 147744-85-2

• 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: Arsine, (phenylborylene)bis[bis(1,1-dimethylethyl)-
• 英文别名: ditert-butyl-[ditert-butylarsanyl(phenyl)boranyl]arsane
• CAS: 147744-85-2
• 化学式: C₂₂H₄₁As₂B
• 分子量: 466.222
• InChiKey: JAEDIRWINICEKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.74
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  (2r,4r)-1,1,3,3-tetra-tert-butyl-2,4-dichloro-2,4-diphenyl-1l5,3l5,2l4,4l4-diarsadiboretane 、 (di-tert-butylarsino)lithium 以 乙醚 、 正己烷 为溶剂， 以46%的产率得到Arsine, (phenylborylene)bis[bis(1,1-dimethylethyl)-
  参考文献：
  名称：

  Syntheses, structures, and spectroscopic studies of several new classes of compounds having boron-arsenic bonds

  摘要：

  Several new arsinoboranes, wherein boron and arsenic are three coordinate, have been prepared and characterized. They are analogous to B-N and B-P species in which p-p pi-bonding, involving the pnictide lone pair and the empty boron p-orbital, may occur. The main conclusion of these studies is that B-As pi-bonding, although inherently strong, is difficult to achieve because of the larger inversion barrier at arsenic. Nontheless, very electropositive or bulky substituents at arsenic reduce this barrier sufficiently to observe substantial B-As pi-interactions. The compounds studied include [PhB(Cl)As(t-Bu)2]2 (1), PhB{As(t-BU)212 (2), Cp*B(Cl)As(t-Bu)2 (3), (C20H30)BAs(t-Bu)2 (4), Mes2BAsPhLi(THF)3 (5), [Mes2BAsPh] [Li(TMEDA)2] (6), and Mes2BAs(Ph)SiMe3 (7) (Cp* = pentamethylcyclopentadienyl, TMEDA = N,N,N'N'-tetramethylenediamine, Mes = 2,4,6-Me3C6H2). The species 5 and 6 have been reported in a preliminary note. All compounds were characterized by X-ray crystallography and H-1 NMR and B-11 NMR spectroscopy. In addition, 5 and 7 were characterized by variable-temperature H-1 NMR studies.

  DOI：

  10.1021/ja00061a021

文献信息

• Syntheses, structures, and spectroscopic studies of several new classes of compounds having boron-arsenic bonds
  作者：Mark A. Petrie、Marilyn M. Olmstead、H. Hope、Ruth A. Bartlett、Philip P. Power

  DOI：10.1021/ja00061a021

  日期：1993.4

  Several new arsinoboranes, wherein boron and arsenic are three coordinate, have been prepared and characterized. They are analogous to B-N and B-P species in which p-p pi-bonding, involving the pnictide lone pair and the empty boron p-orbital, may occur. The main conclusion of these studies is that B-As pi-bonding, although inherently strong, is difficult to achieve because of the larger inversion barrier at arsenic. Nontheless, very electropositive or bulky substituents at arsenic reduce this barrier sufficiently to observe substantial B-As pi-interactions. The compounds studied include [PhB(Cl)As(t-Bu)2]2 (1), PhBAs(t-BU)212 (2), Cp*B(Cl)As(t-Bu)2 (3), (C20H30)BAs(t-Bu)2 (4), Mes2BAsPhLi(THF)3 (5), [Mes2BAsPh] [Li(TMEDA)2] (6), and Mes2BAs(Ph)SiMe3 (7) (Cp* = pentamethylcyclopentadienyl, TMEDA = N,N,N'N'-tetramethylenediamine, Mes = 2,4,6-Me3C6H2). The species 5 and 6 have been reported in a preliminary note. All compounds were characterized by X-ray crystallography and H-1 NMR and B-11 NMR spectroscopy. In addition, 5 and 7 were characterized by variable-temperature H-1 NMR studies.