Lithium;diethylboranuide | 106681-56-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Lithium;diethylboranuide
• CAS: 106681-56-5
• 化学式: C₄H₁₂B*Li
• 分子量: 77.8913
• InChiKey: OYAXCBUPXLKUNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.96
• 重原子数：
  6
• 可旋转键数：
  2
• 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：
  1

反应信息

• 作为反应物：
  描述：

  Lithium;diethylboranuide 、 tris(2,6-diisopropylphenolato)titanium(IV) chloride 以 正己烷 为溶剂， 生成 tris(pentafluorophenolato)(2,6-diisopropylphenolato)titanium(IV)
  参考文献：
  名称：

  Unusual Formation of Two New Titanium(IV) Tetraphenolates

  摘要：

  当2,6-二叔丁基苯酚和TiCl4以3:1的比例反应生成物质，经过Na[HBEt3]处理后，所得到的分离产物不是(2,6-叔丁基2C6H3O)3Ti(HBEt3)，而是异构化酯(2,4-叔丁基2C6H3O)4Ti，具有分子S4对称性。在TiCl4和Na[HBEt3]反应时，2,6-二异丙基苯酚的R取代基没有发生这种重排。对于三(2,6-二异丙基苯酚氧)四钛(IV)氯和锂双(五氟苯氧基)氢硼酸盐反应产物的意外结果也被观察到。分离出的产物被证明是二聚体三(五氟苯氧基) (2,6-二异丙基苯酚氧)四钛(IV)，具有两个桥联五氟苯氧基团，生成五配位的钛原子。

  DOI：

  10.1515/znb-2011-0110

文献信息

• Binuclear Palladium Complexes with Bridging Hydrides. Unusual Coordination Behavior of LiBEt4 and NaBEt4
  作者：Michael D. Fryzuk、Brian R. Lloyd、Guy K. B. Clentsmith、Steven J. Rettig

  DOI：10.1021/ja00088a017

  日期：1994.5

  The reaction of Pd(dippp)Cl-2 (dippp = 1,3-bis(diisopropylphosphino)propane) with a 1:1 mixture of LiBEt(2)H(2) and LiBEt(4) in THF generates the binuclear hydride derivative [(dippp)Pd](2)(mu-H)(2).LiBEt(4) (1) in which the LiBEt(4) is bound to the palladium hydride core. The bare palladium hydride dimer [(dippp)Pd](2)(mu-H)(2) (2) was prepared by reaction of 2 equiv of KBEt(3)H in toluene with Pd(dippp)I-2. Addition of LiBEt(4) to the bare palladium dimer 2 generates the LiBEt(4) adduct 1; this approach has been extended to the preparation of [(dippp)Pd](2)(mu-H)2.NaBEt(4) (3) and [(dippp)Pd](2)(mu-H)(2).LiAlEt(4) (4) by the addition of NaBEt(4) and LiAlEt(4) respectively to 2. On the basis of NMR spectroscopy, there is no evidence for dissociation of the lithium of sodium berate or aluminate salts from the hydride dimer but the ME'Et(4) (M = Li, Na; E' = B, Al) units are labile on the basis of exchange studies and variable temperature NMR data. Crystals of [(dippp)Pd](2)(mu-H)(2).LiBEt(4)0.5(C6H14) (1) are monoclinic, a = 11.537(2) Angstrom, b = 19.114(2) Angstrom, c = 24.020(1) Angstrom, beta = 98.674(9)degrees, Z = 4, space group P2(1)/n; those of [(dippp)Pd](2)(mu-H)(2) (2) are monoclinic, a = 13.128(1) Angstrom, b = 14.362(4) Angstrom, c = 20.353(1) Angstrom, beta = 99.593(6)degrees, Z = 4, space group P2(1)/n; and those of [(dippp)-Pd](2)(mu-H)(2).NaBEt(4) (3) are monoclinic, a = 20.099(2) Angstrom, b = 11.457(5) Angstrom, c = 21.600(3) Angstrom, beta = 92.87(1)degrees, Z = 4, space group P2(1)/c. The structures were solved by the Patterson method and were refined by full-matrix least-squares procedures to R = 0.033, 0.052, and 0.033 (R(W) = 0.029, 0.054, and 0.028) for 5954, 4560, and 5018 reflections with I greater than or equal to 3 sigma(I), respectively. In the solid-state structure of 1, there are three C-H...Li interactions from the ethyl groups attached to boron whereas in the solid-state structure of 3 there are four such C-H...Na interactions.
• Mueller, Matthias; Wagner, Trixie; Englert, Ulli, Chemische Berichte, 1995, vol. 128, # 1, p. 1 - 10
  作者：Mueller, Matthias、Wagner, Trixie、Englert, Ulli、Paetzold, Peter

  DOI：——

  日期：——