B,B'-bis(dimethylamino)-B,B'-dimesityldiborane(4) | 144460-55-9

• 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: B,B'-bis(dimethylamino)-B,B'-dimesityldiborane(4)
• CAS: 144460-55-9
• 化学式: C₂₂H₃₄B₂N₂
• 分子量: 348.147
• InChiKey: QMQGJUXSDYYWSA-UHFFFAOYSA-N

物化性质

• 沸点：
  436.4±55.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  B,B'-bis(dimethylamino)-B,B'-dimesityldiborane(4) 在 HCl 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 B,B'-diiodo-B,B'-dimesityldiborane(4)
  参考文献：
  名称：

  Hommer, Herbert; Noeth, Heinrich; Knizek, Joerg, European Journal of Inorganic Chemistry

  摘要：

  DOI：
• 作为产物：
  描述：

  mesityllithium 以 乙醚 、 正己烷 、 正戊烷 为溶剂， 生成 B,B'-bis(dimethylamino)-B,B'-dimesityldiborane(4)
  参考文献：
  名称：

  The structure of 1,2-diaryl-1,2-bis(dimethylamino)diboron compounds and related species: boron–nitrogen analogues of buta-1,3-dienes

  摘要：

  The 1,2-dihalogenodiborane(4) compound Br(Me2N)BB(NMe2)Br 1 reacts with Li(mes) (mes = C6H2-Me3-2,4,6) or LiPh to form the derivatives Br(Me2N)BB(NMe2)(mes) 2, (mes)(Me2N)BB(NMe2)(mes) 3, and the previously reported (synthesised by a different route) species Ph(Me2N)BB(NMe2)Ph 4 in moderate yields. Compounds 2-4 are thermally stable, colourless, crystalline solids. All compounds were characterized by X-ray crystallography and NMR spectroscopy. Their structures have B-B bond lengths that vary from 1.682(16) angstrom in 1 to 1.717(15) angstrom in 3. In addition, all compounds display high angles (from 58.9 to 88.7-degrees) between the planes at the boron atoms and short B-N distances that are near 1.39 angstrom. The structures of 1-4 represent, apparently, the first such acyclic examples for diborane(4) derivatives of the type B2X2(NR2)2 where X = halogen or aryl group. Crystal data: 130 K: 1, Br(Me2N)BB(NMe2)Br, monoclinic, space group P2(1), a = 6.789(2), b = 7.720(2), c = 10.012(4), beta = 103.06(3)-degrees, Z = 2, R = 0.048 for 1109 [l > 2.0-sigma(l)] data; 2, Br(Me2N)BB(NMe2)(mes), monoclinic, space group C2/c, a = 24.890(14), b = 7.662(4), c = 18.500(12), beta = 116.36(4)-degrees, Z = 8, R = 0.063 for 1910 [l > 2.0-sigma(l)] data; 3 (mes)(Me2N)BB(NMe2)(mes), orthorhombic, space group Pbcn, a = 37.983(14), b = 14.167(5), c = 12.282(4) angstrom, Z = 12, R = 0.095 for 1829 [l > 3.0-sigma(l)] data; 4, Ph(Me2N)BB(NMe2)Ph, orthorhombic, space group P2(1)2(1)2(1), a = 8.579(2), b = 12.920(4), c = 13.925(3) angstrom, Z = 4, R = 0.045 for 1776 [l > 4.0-sigma(l)] data.

  DOI：

  10.1039/dt9920002429

文献信息

• Synthesis and characterization of compounds with boron-boron double bonds
  作者：Philip P. Power

  DOI：10.1016/s0020-1693(00)92388-0

  日期：1992.8

  non-planar precursors) consistent with the formation of a π-bond between the boron centers. Their 11 B NMR spectra display peaks that are shifted upfield relative to the starting compounds. In the case of the amido derivative, two B-N π-bonds were cleaved in the reduction process. The electronic absorption spectrum of this compound in Et 2 O displays an intense absorption at 320 nm which may be attributed

  摘要乙硼烷（4）衍生物Mes 2 BB（Mes）Ph和Me 2 N（Ph）BB（Ph）NMe 2易于与锂粉在乙醚中反应，生成双还原的盐[（Et 2 O）Li} 2 Mes 2 BB（Mes）Ph]和[（Et 2 O）Li} 2 Me 2 N（Ph）BB（Ph）NMe 2]。两种物质都被分离为红色晶体，已通过X射线晶体学，11 B NMR和电子光谱进行了表征。结构数据表明，与地层一致的B planar-B距离接近1.63 A的平面或几乎平面的B 2 C 4或B 2 C 2 N 2核（比照中性非平面前体的B nearB = 1.71 A）硼中心之间的π键。他们的11 B NMR谱图显示了相对于起始化合物向高场偏移的峰。在酰胺衍生物的情况下，在还原过程中裂解了两个BNπ键。该化合物在Et 2 O中的电子吸收光谱在320 nm处显示出强烈的吸收，这可能归因于BBπ键的π-π*跃迁。这表明该键的强度约为40kcal