1,2,5-tri-tert-butyl-3-methyl-4,4-bis(trimethylsilyl)-1-aza-2,3,5-triboracyclopentane | 161497-25-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: 1,2,5-tri-tert-butyl-3-methyl-4,4-bis(trimethylsilyl)-1-aza-2,3,5-triboracyclopentane
• 英文别名: trimethyl-(1,2,5-tritert-butyl-3-methyl-4-trimethylsilyl-1,2,3,5-azatriborolidin-4-yl)silane
• CAS: 161497-25-2
• 化学式: C₂₀H₄₈B₃NSi₂
• 分子量: 391.212
• InChiKey: WAFWNQPNAKHJRP-UHFFFAOYSA-N

物化性质

• 沸点：
  383.232±52.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  0.810±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  {bis(trimethylsilyl)methylene}methylborane 、 tri(tert-butyl)azadiboriridine 、 三（三甲代甲硅烷基）甲烷 以 正戊烷 为溶剂， 以81%的产率得到1,2,5-tri-tert-butyl-3-methyl-4,4-bis(trimethylsilyl)-1-aza-2,3,5-triboracyclopentane
  参考文献：
  名称：

  Expansion of Three-Membered Rings by the Insertion of Methyl(methylidene)borane MeB:C(SiMe3)2

  摘要：

  The methyl(methylidene)borane MeB = C(SiMe(3))(2) (1) and dimethylsilylene react in a 2:1 ratio to give the 1-sila-3,4-diboracyclopentane [-B(Me)-B(Me)-C(SiMe(3))(2)-Si(Me)(2)-C(SiMe(3))(2)-] (2), which crystallizes in the triclinic space group P1, with Lattice constants a = 16.648(5) Angstrom, b = 17.073(4) Angstrom, c = 11.490(3) Angstrom, alpha = 102.79(2)degrees, beta = 104.80(2)degrees, gamma = 62.76(2)degrees, and V = 2786(2) Angstrom(3); Z = 4. It is assumed that 2 is formed via the cyclic 1:1 adduct of 1 and SiMe(2), [-B(Me)-C(SiMe(3))(2)-Si(Me)(2)-] (3), the B-Si bond of which is subsequently added to the B-C double bond of a second molecule of 1. The azadiboriridine [-B(t-Bu)-B(t-Bu)-N(t-Bu)-] (4) undergoes a similar addition. to I to give the 1-aza-2,3,5-triboracyclopentane [-B(Me)-C(SiMe(3))(2)-B(t-Bu)-N(t-Bu)-B(t-Bu)-] (5).

  DOI：

  10.1021/om00003a061