ethylammonium tetraphenylborate | 53694-97-6

• 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: ethylammonium tetraphenylborate
• 英文别名: Ethylazanium;tetraphenylboranuide
• CAS: 53694-97-6
• 化学式: C₂H₇N*C₂₄H₂₀B*H
• 分子量: 365.326
• InChiKey: CRXPVWXBWLUQNI-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  ethylammonium tetraphenylborate 生成 Aethylaminodiphenylbor
  参考文献：
  名称：

  热分析在硼氮化学研究中的应用——Ⅱ烷基四氯化四苯基硼酸酯和三氯苯基硼酸酯的差热分析

  摘要：

  对四氯-，四苯基-和三氯苯基硼酸烷基铵的热分析研究表明，氯化氢或苯的损失形成了1：1的络合物。在四氯-和三氯苯基硼酸酯系统中的进一步分解导致形成B-三氯-N-三烷基硼嗪。硼酸四苯酯的分解在硼烷阶段停止，并形成烷基氨基二苯基硼烷。

  DOI：

  10.1016/0022-1902(66)80313-5

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.4, 4.9.2, page 166 - 181
  作者：

  DOI：——

  日期：——
• Cone angles for amine ligands. X-ray crystal structures and equilibrium measurements for ammonia, ethylamine, diethylamine, and triethylamine complexes with the [bis(dimethylphosphino)ethane]methylpalladium(II) cation
  作者：Allen L. Seligson、William C. Trogler

  DOI：10.1021/ja00007a028

  日期：1991.3

  The reaction between Pd(dmpe)Me2, where dmpe = 1,2-bis(dimethylphosphino)ethane, and [NH4]PF6, [NH4]BPh4, [NH3Et]BPh4, [NH2Et2]BF4, [NH2Et2]BPh4, [NHEt3]BPh4, [NH2iPr2]BPh4, and [1-methylimidazolium]BPh4 in CH2Cl2 or CH3CN solvent rapidly produces CH4 and the corresponding amine complexes [Pd(dmpe)CH3(NRR'R'')]X, 1-8, respectively. All can be isolated as crystalline solids in 57-87% yield. Crystals of 1 belong to the monoclinic space group P2(1)/c with lattice constants a = 8.378 (5) angstrom, b = 16.696 (8) angstrom, c = 12.024 (5) angstrom, beta = 103.91 (4)-degrees, and Z = 4. 3 crystallizes in the monoclinic space group P2(1)/c with lattice constants a = 9.986 (3) angstrom, b = 11.024 (4) angstrom, c = 29.601 (9) angstrom, beta = 92.69 (2)-degrees, and Z = 4. 4 crystallizes in the orthorhombic space group Pbcn with lattice constants a = 13.181 (4) angstrom, b = 23.897 (7) angstrom, c = 24.854 (9) angstrom, and Z = 16. 6 crystallizes in the monoclinic space group P2(1)/c with lattice constants a = 9.566 (4) angstrom, b = 21.773 (7) angstrom, c = 17.662 (5) angstrom, beta = 90.62 (3)-degrees, and Z = 4. Least-squares refinement of the structures led to R factors of 0.047, 0.054, 0.055, and 0.054, respectively. All complexes adopt a square-planar geometry with angle distortions in the plane, which parallel the increasing size of the amine. The Pd-N bond lengths of 2.139 (5), 2.174 (6), 2.182 (8), and 2.244 (7) angstrom in 1, 3, 4, and 6 correlate linearly with the steric cone angle for the amine ligands. The Pd-N bond length in 6 exceeds that of 2.201 (3) angstrom for the trans Pd-P bond, which reflects severe steric crowding for the triethylamine ligand. Cone angles for these and other amines were determined from geometric measurements of CPK models. Equilibrium binding constants for 16 amine ligands to the Pd(dmpe)Me+ Lewis acid were measured by variable-temperature P-31 NMR spectroscopy. Binding constants for amines of similar pK(a) correlate well with the amine cone angles, theta; however, a steric threshold was observed when theta less-than-or-equal-to 120-degrees. Binding constants, relative to the NHEt2 complex, K, for the ligands obeyed the relationship log K = 8.1 + 0.54pK(a) -0.15-theta, with a correlation coefficient of 0.95. This shows a dependence on both electronic and steric properties of the amine ligands. Of the various amine ligands studied, 1-methylimidazole and ethylamine bind most effectively. This parallels the role of histidine and lysine for binding metals in metalloproteins.