tris(pentafluorophenyl)borane hydrate

• 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: tris(pentafluorophenyl)borane hydrate
• 英文别名: tris-(pentafluorophenyl)borane；B(C₆F₅)₃*H₂O；tris(pentafluorophenyl)borane monohydrate；(water)*B(C6F5)3；tris(2,3,4,5,6-pentafluorophenyl)borane;hydrate
• 化学式: C₁₈BF₁₅*H₂O
• 分子量: 530.0
• InChiKey: GVNLHDQZDCFJSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  tris(pentafluorophenyl)borane hydrate 生成 二(五氟苯基)硼酸
  参考文献：
  名称：

  Borane-functionalized oxide supports: development of active supported metallocene catalysts at low aluminoxane loading

  摘要：

  Treatment of hydroxylated silica or alumina with tris(perfluorophenyl)borane (1), bis(perfluorophenyl)borane (2) or bis(perfluorophenyl)boron chloride (3), provides borane-functionalized supports of variable composition, as revealed by in situ monitoring by F-19 NMR spectroscopy and/or elemental analysis. These chemically treated supports can be impregnated with Cp2ZrMe2 to provide supported catalysts for ethylene polymerization. Although some of these supported catalysts are active for ethylene polymerization in the presence of alkylaluminum compounds (e.g., TMA, TIBAL), all of these catalysts are more efficiently activated in the presence of small quantities of methyl aluminoxane, even at very low Al:Zr ratios of 10:1. The polymer properties are quite similar to those produced using the soluble catalyst Cp2ZrMe2/B(C6F5)(3), again in the presence of MAO at low loading. A variety of experiments suggest that minimal leaching of the metallocene complex from the support occurs under the conditions studied; in particular, production of polyethylene with high bulk densities (> 0.2 g/cm(3)) and little reactor fouling, even at elevated temperature in toluene slurry, is observed. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(98)00341-0
• 作为产物：
  描述：

  三(五氟苯基)硼烷 在 moisture 作用下， 以 not given 为溶剂， 生成 tris(pentafluorophenyl)borane hydrate
  参考文献：
  名称：

  The Aluminocenium Cation[Al(C5H5)2]+: A Highly Effective Initiator for the Cationic Polymerization of Isobutene

  摘要：

  DOI：

  10.1002/anie.199622261
• 作为试剂：
  描述：

  1-氟金刚烷 、 二苯甲酰基甲烷 在 tris(pentafluorophenyl)borane hydrate 作用下， 以 硝基甲烷 为溶剂， 反应 1.0h， 以78%的产率得到2-(adamantan-1-yl)-1,3-diphenylpropane-1,3-dione
  参考文献：
  名称：

  催化脂肪族氟化物B（C 6 F 5）3 H 2 O促进的脱氟官能化

  摘要：

  描述了在良性反应条件下进行的AB（C 6 F 5）3 H 2 O催化的叔脂肪族氟化物的脱氟官能化。通过快速有效地形成一系列具有新安装的C（sp 3）N，S，C和O键的产品，可以举例说明该方法的综合用途。这项研究说明了其他惰性原料的广泛反应性，并提供了通往有价值的和合成上代表性不足的产品的途径，这些产品以前从未从此类氟化前体中获得。

  DOI：

  10.1016/j.jfluchem.2016.11.005

文献信息

• Trapping Unstable Terminal M−O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids
  作者：Javier Sánchez-Nieves、Luis M. Frutos、Pascual Royo、Obis Castaño、Eberhardt Herdtweck、Marta E. G. Mosquera

  DOI：10.1021/ic1016609

  日期：2010.11.15

  CpR = Cp′, X = Cl 2a) afforded the oxo-alane complexes [MCpRX2O·Al(C6F5)3}] (M = Ta, CpR = Cp*, X = Cl 3a, Bz 3b, Me 3c; M = Nb, CpR = Cp′, X = Cl 4a), releasing B(C6F5)3. Compound 3a was also obtained by addition of Al(C6F5)3 to the dinuclear μ-oxo compound [TaCp*Cl2(μ-O)]2, meanwhile addition of the water adduct H2O·Al(C6F5)3 to [TaCp*Me4] gave complex 3c. The structure of 2a and 3a was obtained

  的水解[NbCp'Cl 4 ]（CP'=η 5 -C 5 H ^ 4森达3）与水的加合物ħ 2 O·B（C 6 ˚F 5）3，得到氧代硼烷化合物〔NbCp'Cl 2 O·B（C 6 F 5）3 }]（2a）。该化合物与[MgBz 2（THF）2 ]反应，得到[NbCp'Bz 2 O·B（C 6 F 5）3 }]（2b），而[NbCp'Me 2 O·B（C 6 F由[NbCp'Me 4 ]与H 2 O·B（C 6 F 5）3的反应获得（5）3 }]（2c）。的Al（C的另外6 ˚F 5）3，以含有氧代硼烷化合物[MCP解决方案- [R X 2 O·B（C 6 ˚F 5）3 }]（M =钽中，Cp [R =η 5 -C 5我5（Cp *），X = Cl 1a，Bz 1b，Me 1c； M = Nb，Cp R＝ Cp′，X ＝ Cl 2a）得到氧代-烷烃配合物[MCp R X 2 O·Al（C
• Oxidation of [M(η-C5H5)2], M = Cr, Fe or Co, by the new Brønsted acid H2O·B(C6F5)3 yielding the salts [M(η-C5H5)2]+A−, where A− = [(C6F5)3B(μ-OH)B(C6F5)3]− or [(C6F5)3BOH  · · ·  H2OB(C6F5)3]− †
  作者：Linda H. Doerrer、Malcolm L. H. Green

  DOI：10.1039/a905892c

  日期：——

  The Brønsted acids H2O·B(C6F5)3 and D2O·B(C6F5)3 have been synthesized. Reaction of neutral divalent metallocenes [M(η-C5H5)2], M = Cr, Fe or Co, with two equivalents of H2O·B(C6F5)3 2a resulted in metallocene oxidation and formation of salts containing [M(η-C5H5)2]+ cations together with the hydroxoborate anion [HOB(C6F5)3]– which is hydrogen bonded to the second acid equivalent, namely [M(η-C5H5)2][(F5C6)3BOH· · ·H2OB(C6F5)3], M = Cr 3a, Fe 4a or Co 5a. Treatment of one equivalent of 2a and one equivalent of B(C6F5)3 1 with [M(η-C5H5)2] yielded salts containing the same metallocene cations but now with µ-OH bridged anions, as in [M(η-C5H5)2][(F5C6)3B(µ-OH)B(C6F5)3], where M = Cr 3b or Co 5b. All products have been characterised by NMR spectroscopy, elemental analysis, and the single-crystal structures of 2a, 3a, 4a, and 5a have been determined.

  合成了布朗斯台德酸H2O·B(C6F5)3 和D2O·B(C6F5)3。中性二价茂金属 [M(δ-C5H5)2]（M=Cr、Fe 或 Co）与两当量的 H2O·B(C6F5)3 2a 反应，导致茂金属氧化并形成含有 [M(δ) 的盐·-C5H5)2]+ 阳离子与硼酸阴离子 [HOB(C6F5)3]– 与第二个酸当量形成氢键，即 [M(δ-C5H5)2][(F5C6)3BOH· ····H2OB(C6F5)3]，M = Cr 3a、Fe 4a 或 Co 5a。用 [M(δ-C5H5)2] 处理一当量 2a 和一当量 B(C6F5)3 1 产生含有相同​​茂金属阳离子但现在带有 µ-OH 桥接阴离子的盐，如 [M(δ-C5H5)2] 中所示-C5H5)2][(F5C6)3B(μ-OH)B(C6F5)3]，其中 M = Cr 3b 或 Co 5b。所有产物均经过核磁共振波谱、元素分析表征，并确定了2a、3a、4a和5a的单晶结构。
• Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes:  X-ray Structures of B(C₆F₅)₃ Adducts of OTe(<i>μ</i>-N<i>^t</i>Bu)₂TeN<i>^t</i>Bu, [OTe(<i>μ</i>-N<i>^t</i>Bu)₂Te(<i>μ</i><i>-</i>O)]₂ and <i>^t</i>BuNH₂
  作者：Gabriele Schatte、Tristram Chivers、Heikki M. Tuononen、Reijo Suontamo、Risto Laitinen、Jussi Valkonen

  DOI：10.1021/ic048565+

  日期：2005.1.1

  hydrolysis of (t)BuNTe(mu-N(t)Bu)(2)TeN(t)Bu (1) with 1 or 2 equiv of (C(6)F(5))(3)B.H(2)O results in the successive replacement of terminal imido groups by oxo ligands to give the telluroxane-Lewis acid adducts (C(6)F(5))(3)B.OTe(mu-N(t)Bu)(2)TeN(t)Bu (2) and [(C(6)F(5))(3)B.OTe(mu-N(t)Bu)(2)Te(mu-O)](2) (3), which were characterized by multinuclear NMR spectroscopy and X-ray crystallography. The Te=O distance

  （t）BuNTe（mu-N（t）Bu）（2）TeN（t）Bu（1）与1或2当量的（C（6）F（5））（3）BH（2）的水解O导致末端亚氨基被氧代配体连续取代，从而得到碲氧烷-路易斯酸加合物（C（6）F（5））（3）B.OTe（mu-N（t）Bu）（2）TeN （t）Bu（2）和[（C（6）F（5））（3）B.OTe（mu-N（t）Bu）（2）Te（mu-O）]（2）（3） ，通过多核NMR光谱学和X射线晶体学表征。2中的Te = O距离为1.870（2）A。二价加合物3涉及四个（t）（）BuNTeO单体的缔合，得到四聚体，其中两个末端Te = O基团[d（TeO）= 1.866 （3）A]与B（C（6）F（5））（3）协调。3中的中央Te（2）O（2）环明显不对称[d（TeO）= 1.912（3）和2.088（2）A]。还报告了这些水解反应的副产物（C（6）F（5））（3）B.NH（2）（
• Donor–acceptor stabilized silaformyl chloride
  作者：Rajendra S. Ghadwal、Ramachandran Azhakar、Herbert W. Roesky、Kevin Pröpper、Birger Dittrich、Catharina Goedecke、Gernot Frenking

  DOI：10.1039/c2cc32887a

  日期：——

  Formyl chloride (H(Cl)CO) is unstable at room temperature and decomposes to HCl and CO. Silicon analogue of formyl chloride, silaformyl chloride IPr·SiH(Cl)O·B(C6F5)3 (3) (IPr = 1,3-bis(2,6-diisopropyl-phenyl)imidazol-2-ylidene), was stabilized by Lewis donor–acceptor ligands. Compound 3 is not only the first stable acyclic silacarbonyl compound but also the first silacarbonyl halide reported so far.

  甲酰氯（H(Cl)CO）在室温下不稳定，会分解成 HCl 和 CO。甲酰氯的硅类似物硅甲酰氯 IPrÂ-SiH(Cl)OÂ-B(C6F5)3 (3) （IPr = 1,3-双（2,6-二异丙基苯基）咪唑-2-亚基）通过路易斯供体受体配体得到稳定。化合物 3 不仅是第一个稳定的无环硅羰基化合物，也是迄今为止报道的第一个硅羰基卤化物。
• Interaction of formaldehyde with a water-tolerant frustrated Lewis pair
  作者：Ghazi Ghattas、Claudia Bizzarri、Markus Hölscher、Jens Langanke、Christoph Gürtler、Walter Leitner、Muhammad Afzal Subhani

  DOI：10.1039/c6cc08044h

  日期：——

  A facile complexation of formaldehyde with the water- tolerant frustrated Lewis pair (FLP) B(C6F5)3/PtBu3 and its Al-analog at ambient conditions is reported. The unprecedented formaldehyde adducts 1, 2 and 4...

  据报道，在环境条件下，甲醛与耐水的沮丧的路易斯对（FLP）B（C6F5）3 / PtBu3及其铝类似物容易络合。前所未有的甲醛加合物1、2和4 ...