methylbis(pentafluorophenyl)borane | 170151-48-1

• 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: methylbis(pentafluorophenyl)borane
• 英文别名: Methylbis(perfluorophenyl)borane；methyl-bis(2,3,4,5,6-pentafluorophenyl)borane
• CAS: 170151-48-1
• 化学式: C₁₃H₃BF₁₀
• 分子量: 359.962
• InChiKey: YQBCCUZMESBDAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methylbis(pentafluorophenyl)borane 以 二氯甲烷 、 甲苯 为溶剂， 反应 11.0h， 生成 tert-butylazaniumylidynemethyl-[(E)-1-diphenylphosphanyl-1-(4-methylphenyl)prop-1-en-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide
  参考文献：
  名称：

  烷基异氰酸酯对不饱和邻位受阻的P / B Lewis对的显着配位行为†

  摘要：

  由取代的二苯基膦乙炔的1,1-碳硼化形成的共轭受阻的膦/硼烷路易斯对，经历与正丁基异氰酸酯的1,1-加成反应，并与前者形成了新的BC和PC键异腈碳原子。使用叔丁基异氰化物，可以观察到溶液中异氰酸酯– [B]加合物与1,1-加成产物形成之间的动力学行为。使用X射线晶体结构分析以及全面的11 B和31表征了固态下异氰酸酯与FLP结合的不同模式P固态魔术角自旋（MAS-）NMR实验。可以通过11 B和31 P各向同性化学位移，11 B核四极电耦合常数，各向同性间接11 B来区分游离FLP，硼烷基团上的Lewis加合物以及由异氰酸酯加至两个反应中心所产生的环状产物– 31 P自旋-自旋耦合常数，以及11 B⋯ 31 P核间距离，通过旋转回波双共振测量。

  DOI：

  10.1039/c3sc00082f
• 作为产物：
  描述：

  bis(cyclopentadienyl)dimethylzirconium(IV) 、 氯[二(五氟苯基)]硼烷 以 甲苯 为溶剂， 生成 methylbis(pentafluorophenyl)borane
  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

文献信息

• Contribution to the Chemistry of 2,2,6,6-Tetramethylpiperidino Aluminium Compounds
  作者：Klaus Knabel、Heinrich Nöth

  DOI：10.1515/znb-2005-1002

  日期：2005.10.1

  tmpAlBr2 (tmp = 2,2,6,6-tetramethylpiperidino) was prepared from AlBr3 and tmp2AlBr at 90 °C in the absence of a solvent, but could not be crystallised from toluene or hexane because it reacted with the solvents to form tmpH·AlBr3 in high yield. tmpH·AlMeCl2, obtained from the components, decomposes at elevated temperatures but no tmpAlCl2 could be isolated. Attempts to generate the cation [tmp-Al-tmp]+

  tmpAlBr2 (tmp = 2,2,6,6-四甲基哌啶基) 由 AlBr3 和 tmp2AlBr 在 90 °C 下无溶剂制备，但不能从甲苯或己烷中结晶，因为它与溶剂反应形成 tmpH· AlBr3 收率高。从组分中获得的 tmpH·AlMeCl2 在升高的温度下会分解，但无法分离出 tmpAlCl2。尝试通过用 B(C6F5)3、Ph3C(SnCl5) 或 SbCl5 或从 tmp2AlR (R = Me, Ph) 和 B(C6F5)3 的卤化物提取从 tmp2AlBr 或 tmp2AlCl 生成阳离子 [tmp-Al-tmp]+失败的。在 THF 中用 BH3 处理 tmp-B=P(tBu)AlBr3 时发生了意想不到的反应，导致形成 [AlBr2(thf)4][AlBr4]。尝试从 tBu2AlBr 和 Li(tmp) 合成 tBu2Al(tmp) 得到的产物在干冰温度下暴露于 CO2
• The B(C₆F₅)₃Boron Lewis Acid Route to Arene-Annulated Pentalenes
  作者：Chao Chen、Marcel Harhausen、Aiko Fukazawa、Shigehiro Yamaguchi、Roland Fröhlich、Constantin G. Daniliuc、Jeffrey L. Petersen、Gerald Kehr、Gerhard Erker

  DOI：10.1002/asia.201400096

  日期：2014.6

  (24, 8) with the frustrated Lewis pair B(C6F5)3/P(o‐tolyl)3. The overall formation of the C6F5‐substituted products formally require HB(C6F5)2 cleavage in an intermediate dehydroboration step. This was confirmed in the reaction of a thienylethynyl‐containing starting material 21 with B(C6F5)3, which gave the respective annulated pentalene product 23 that had the HB(C6F5)2 moiety 1,4‐added to its thiophene

  4,5-二甲基1,2-双（1-萘乙炔基）苯（12）经过强硼路易斯酸B（C 6 F 5）3处理后迅速发生多环闭合反应，得到多环环化的，平面共轭π系统13（50％产率）。在该反应过程中，C 6 F 5基团从硼转移到碳上。类似地，用CH 3 B（C 6 F 5）2处理12，得到13（C 6 F 5-转移）和产物15的混合物。，它是由CH 3基团转移形成的。1,2-双（苯基乙炔基）苯（8）用CH同样反应3 B（C 6 ˚F 5）2，得到各个C的混合物6 ˚F 5 -和CH 3个取代dibenzopentalenes 10和16。该反应被认为是通过具有乙烯基阳离子反应性的两性离子中间体进行的。一些B（C 6 ˚F 5）3 -取代的物质（26，27）因此通过原位去质子化处理后的各1,2-双（炔基）苯原料（构成24，8）与沮丧路易斯对B（C 6 ˚F 5）3 / P（ø -甲苯基）3。C 6 F 5取代
• Indene formation upon borane-induced cyclization of arylallenes, 1,1-carboboration, and retro-hydroboration
  作者：Max Hasenbeck、Felix Wech、Arthur Averdunk、Jonathan Becker、Urs Gellrich

  DOI：10.1039/d1cc01750k

  日期：——

  The formation of pentafluorophenyl indenes upon reaction of arylallenes with B(C₆F₅)₃ is reported. Key steps are a 1,1-carboboration and a retrohydroboration.

  报道了芳基亚烯与B(C6F5)3反应生成五氟苯基茚烯的形成。关键步骤是1,1-碳硼化和逆水硼化。
• Consecutive intermolecular 1,1-carboboration reactions of Me₃Si-substituted alkynes with the halogeno-B(C₆F₅)₂ reagents
  作者：Karel Škoch、Christophe Pauly、Constantin G. Daniliuc、Klaus Bergander、Gerald Kehr、Gerhard Erker

  DOI：10.1039/c9dt00413k

  日期：——

  1-(Trimethylsilyl)propyne 2a reacts with halogenoboranes XB(C₆F₅)₂ (X: Cl, Br) in a 2 : 1 molar ratio under mild conditions by consecutive 1,1-carboboration reactions to give the highly substituted boryldienes 4.

  1-(三甲基硅基)丙炔2a在温和条件下与卤代硼烷XB(C6F5)2（X：Cl，Br）以2：1的摩尔比进行连续的1,1-碳硼化反应，生成高度取代的硼二烯4。
• Dialkylaluminium complexes derived from 1,8-diphenyl-3,6-dimethylcarbazole: a new sterically hindered monodentate ligand system
  作者：Stefan K. Spitzmesser、Vernon C. Gibson

  DOI：10.1016/s0022-328x(03)00174-8

  日期：2003.4

  A new type of sterically hindered, monodentate ligand system based on the carbazolide frame is introduced. (1,8-diphenyl-3,6-dimethylcarbazolide)AlR2 (4, R=Me; 5, R=Et) complexes have been prepared by N-lithiation of the carbazole, followed by reaction with the appropriate dialkylaluminium chloride. Treatment of the dialkyl complexes 4 and 5 with B(C6F5)3 or [H(OEt2)2][B3,5-(CF3)2C6H3}4] affords [LAlR]+

  介绍了一种基于咔唑内酯骨架的新型位阻单齿配体系统。（1，8-二苯基-3，6-二甲基咔唑）AlR 2（4，R ＝ Me；5，R ＝ Et）配合物是通过咔唑的N-锂化反应，然后与适当的氯化二烷基铝反应而制备的。用B（C 6 F 5）3或[H（OEt 2）2 ] [B 3,5-（CF 3）2 C 6 H 3 } 4 ]处理二烷基络合物4和5得到[LAIR] +物种之后是烷基/ Ar F交换产生的产物。阳离子物种烷基铝被发现乙烯低聚至C 4 C 10烯烃产物。