(Ph3PO)B(C6F5)3 | 356074-05-0

• 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: (Ph3PO)B(C6F5)3
• 英文别名: B(C6F5)3*Ph3PO；Tris(2,3,4,5,6-pentafluorophenyl)-triphenylphosphaniumyloxyboranuide
• CAS: 356074-05-0
• 化学式: C₃₆H₁₅BF₁₅OP
• 分子量: 790.275
• InChiKey: BOLTUGOWGDLGIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.67
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  以 二氯甲烷-D2 、 氘代苯 为溶剂， 生成 (Ph3PO)B(C6F5)3
  参考文献：
  名称：

  Comparative Lewis Acidity in Fluoroarylboranes: B(o-HC₆F₄)₃, B(p-HC₆F₄)₃, and B(C₆F₅)₃

  摘要：

  The Lewis acidic fluoroarylborane B(o-HC6F4)(3) (2) was prepared and its Lewis acid strength assessed in comparison to the known, related boranes B(C6F5)(3) (1) and B(p-HC6F4)(3) (3). Experimental methods based on spectroscopic probes and equilibrium measurements were used to show that B(C6F5)(3) is the strongest Lewis acid of the three; while the Lewis acidities of 2 and 3 are comparable, the p-H-substituted isomer is slightly stronger in the tests employed. This contrasts with predictions made on the basis of computed bond formation energies, as recently reported by Durfey and Gilbert.

  DOI：

  10.1021/om3011195

文献信息

• Organophosphoryl adducts of tris(pentafluorophenyl)borane; crystal and molecular structure of B(C6F5)3·Ph3PO
  作者：Michael A. Beckett、David S. Brassington、Mark E. Light、Michael B. Hursthouse

  DOI：10.1039/b100981h

  日期：——

  B(C6F5)3·Ph3PO was further characterised in the solid state by a single-crystal X-ray diffraction study. 31P NMR chemical shifts and ν(PO) IR stretching frequencies are discussed in relation to substituent at phosphorus.

  B（C 6 F 5）3与有机磷酰基的一系列1：1加合物配体Et 3 PO，Ph 3 PO，Pr n 3 PO，Oct n 3 PO，（MeO）3 PO，（EtO）3 PO，（PhO）3 PO，（EtO）2（H）PO，（Bu n O）合成并表征了2（H）PO，（PhO）2（H）PO，（MeO）2 MePO，（EtO）2 MePO，（EtO）2 PhPO和（EtO）Me 2 PO元素分析，mp和光谱（1 H，13 C，11 B，19 F，31 P NMR 和 红外） 方法。通过单晶X射线衍射研究进一步表征了B（C 6 F 5）3 ·Ph 3 PO的固态。31 P NMR化学位移和ν（PO）红外 关于磷的取代基，讨论了拉伸频率。
• An Axially Chiral, Electron-Deficient Borane: Synthesis, Coordination Chemistry, Lewis Acidity, and Reactivity
  作者：Marius Mewald、Roland Fröhlich、Martin Oestreich

  DOI：10.1002/chem.201100724

  日期：2011.8.16

  diffraction analysis as its THF and its PhCN Lewis acid/base complex. 1H NMR measurements at variable temperatures of the former adduct revealed a remarkable dynamic behavior in solution. Several more Lewis pairs with oxygen, nitrogen, carbon, and phosphorus σ‐donors were synthesized and analyzed by multinuclear NMR spectroscopy. The determination of the borane’s Lewis acidity with the Gutmann–Beckett method

  通过对相应的锡前体进行重金属化制备了轴向手性二氢硼平，其具有联萘骨架和在硼原子上的C 6 F 5取代基。这种新颖的基序在结构上通过X射线衍射分析表征为THF和PhCN Lewis酸/碱复合物。前加合物在可变温度下的1 H NMR测量显示溶液中具有显着的动力学行为。合成了另外几个具有氧，氮，碳和磷σ供体的路易斯对，并通过多核NMR光谱法进行了分析。用Gutmann-Beckett方法测定硼烷的路易斯酸度证明了其基本的路易斯酸度[Et 3 PO为85％，Ph 3为74％PO相对于母体B（C 6 F 5）3 ]。包括SiH键活化（羰基还原和SiO脱氢偶联）的代表性实例，证明了新的手性硼基路易斯酸的化学稳定性和合成潜力。
• From B(C₆F₅)₃ to B(OC₆F₅)₃:  Synthesis of (C₆F₅)₂BOC₆F₅ and C₆F₅B(OC₆F₅)₂ and Their Relative Lewis Acidity
  作者：George J. P. Britovsek、Juri Ugolotti、Andrew J. P. White

  DOI：10.1021/om049091p

  日期：2005.3.1

  acid C6F5B(OC6F5)2 (3) have been prepared and characterized by multinuclear NMR and X-ray analysis. VT NMR studies have shown that restricted rotation around the B−O bond in 2 occurs below 193 K, corresponding to ΔG⧧ = 35 kJ/mol for this process. This low barrier and the random torsion angles around the B−O bonds observed in the solid state structures of compounds 2, 3, and B(OC6F5)3 (4) suggest that

  制备了双（五氟苯基）硼酸（C 6 F 5）2 BOC 6 F 5（2）和五氟苯基硼酸C 6 F 5 B（OC 6 F 5）2（3）的五氟苯基酯，并通过多核NMR对其进行了表征。和X射线分析。VT NMR研究表明，围绕在B-O键的旋转受阻2发生在低于193 K，对应于Δ ģ ⧧＝ 35kJ / mol。这种低屏障和围绕在化合物的固态结构中观察到的B-O键的随机扭转角2，3，和B（OC 6 ˚F 5）3（4）表明，这些扭转角是不相关的Pπ-Pπ硼和氧之间的相互作用，但更可能是固态结构中广泛的分子间F-π相互作用的结果。的路易斯酸性2，3和4已经与B（C相比6 ˚F 5）3（1），使用各种路易斯碱。所有化合物1 - 4显示为强路易斯酸，从而4个相互作用更强硬碱，而1个结合更强烈更软碱基。