dimethylpentafluorophenylborane | 363596-54-7

• 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: dimethylpentafluorophenylborane
• 英文别名: B(C6F5)Me2；Dimethyl(pentafluorophenyl)borane；dimethyl-(2,3,4,5,6-pentafluorophenyl)borane
• CAS: 363596-54-7
• 化学式: C₈H₆BF₅
• 分子量: 207.939
• InChiKey: VRSNJAGLQCSOSU-UHFFFAOYSA-N

物化性质

• 沸点：
  139.5±40.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [In(CH3)(N,N'-diisopropylaminotroponiminate)][B(CH3)(C6F5)3] 以 further solvent(s) 为溶剂， 生成 dimethylpentafluorophenylborane 、 [In(C6F5)2(N,N'-diisopropylaminotroponiminate)]
  参考文献：
  名称：

  Cationic Indium Alkyl Complexes Incorporating Aminotroponiminate Ligands

  摘要：

  The synthesis and structures of indium complexes incorporating the bidentate monoanionic ligand N,N'-diisopropylaminotroponiminate (Pr-i(2)-ATI) are described. The reaction of InCl3 with Li[Pr-i(2)-ATI] yields (Pr-i(2)-ATI)InCl2 (3), which is converted to (Pr-i(2)-ATI)InMe2 (4) by reaction with MeLi; 4 is also formed by the reaction of InMe3 with (Pr-i(2)-ATI)H. The reaction of 4 with [Ph3C] [B(C6F5)(4)] at 23 degreesC yields the diimine complex [{1,2-((NPr)-Pr-i)(2)-5-CPh3-cyclohepta-3,6-diene}InMe2] [B(C6F5)(4)] (5) via addition of Ph3C+ to the C5 carbon of 4. Thermolysis of 5 (75 degreesC) yields [(Pr-i(2)-ATI)InMe] [B(C6F5)(4)] (6) and Ph3CMe. 43 was isolated as the chlorobenzene solvate 6.PhCl. An X-ray diffraction study shows that there are two independent cations in the asymmetric unit of 6.PhCl. One cation (In(1)) is ion-paired with two B(C6F5)(4)(-) anions, while the second cation is complexed with two PhCl molecules and is disordered between two equally occupied positions (In(2) and In(3)). Dative In-ClPh bonding and PhCl/ATI pi-stacking interactions contribute to the PhCl coordination in 6.PhCl. The reaction of 4 with B(C6F5)(3) yields [(Pr-i(2)-ATI)InMe] [MeB(C6F5)(3)] (7), which decomposes slowly at 23 degreesC by C6F5- transfer reactions. The reaction of 4 with [HNMe2Ph] [B(C6F5)(4)] yields the labile amine adduct [(Pr-i(2)-ATI)In(Me)(NMe2Ph)][B(C6F5)(4)] (10).

  DOI：

  10.1021/om010578x

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
• Bifunctional Lewis Acids. Synthesis and Olefin Polymerization Chemistry of the 1,1-Di[bis(perfluorophenyl)boryl]alkenes RCHC[B(C₆F₅)₂]₂ (R = <i>t</i>-Bu, C₆H₅, C₆F₅)
  作者：Katrin Köhler、Warren E. Piers、Adam P. Jarvis、S. Xin、Y. Feng、A. M. Bravakis、Scott Collins、William Clegg、Glenn P. A. Yap、Todd B. Marder

  DOI：10.1021/om980259e

  日期：1998.8.1

  The synthesis and characterization, including crystallographic analysis, of the bifunctional boranes RCHC[B(C6F5)2]2 (R = t-C4H9, 1a; C6H5, 1b; C6F5, 1c) by regioselective hydroboration of the corresponding 1-boraalkynes using HB(C6F5)2 are reported herein. Compounds 1a and 1b have been screened as cocatalysts for ethylene polymerization in the presence of Cp2ZrMe2 (3) under a variety of conditions

  双官能硼烷的合成和表征，其中包括结晶学分析，RCH C [B（C 6 ˚F 5）2 ] 2（R =吨-C 4 ħ 9，图1A ;Ç 6 ħ 5，1B ;Ç 6 ˚F 5，本文报道了使用HB（C 6 F 5）2通过相应的1-硼烷炔的区域选择性氢硼化进行的1c）的报道。化合物1a和1b在多种条件下，在Cp 2 ZrMe 2（3）的存在下，已筛选出作为乙烯聚合的助催化剂。NMR光谱研究表明的Cp 2 Zr的[η 2 -Bu吨C⋮CB（C 6 F 5）2 ]（4a），Cp 2 ZrMe（C 6 F 5），有机硼烷Me 2 BC 6 F 5和甲烷气体是1a与3在甲苯中反应形成的最终产物在室温下溶解。通过变温NMR研究已经阐明了这种转化的化学计量机制。配合物4a和MeB（C 6 F 5）2（7）分别制备，并分别用作乙烯聚合催化剂和助催化剂。单独或在另外的1a的存在下，化合物4a对于乙烯聚合是惰性的。但是，Cp
• Structure, Dynamics, and Polymerization Activity of Zirconocenium Ion Pairs Generated with Boron-C₆F₅Compounds and Al₂R₆
  作者：Déborah Mathis、Erik P. A. Couzijn、Peter Chen

  DOI：10.1021/om200369u

  日期：2011.7.25

  for the cocatalyst exchange of ion pair Cp*2Zr(Me)−μ-Me–Al(C6F5)2Me (2a) and 13(2) kcal mol–1 at 298 K for the methyl exchange in Al2(C6F5)xMe6–x (x = 0, 1). Due to the stability of the ion pairs generated from the Cp*2ZrMe2 precatalyst at temperatures relevant for polymerization, correlations between activities in ethylene polymerization and the nature of the ion pairs can be established. All solutions

  烯烃聚合反应前催化剂Cp * 2 ZrMe 2与硼-C 6 F 5化合物（B（C 6 F 5）3，[Ph 3 C] [B（C 6 F 5）4 ]）的活化反应为了确定优先形成的离子对的性质，通过NMR光谱法研究了烷基铝物质（Al 2 Me 6，Al 2 i Bu 6）。我们显示了具有通式Cp * 2 Zr（Me）−μ-Me–E（C 6 F 5）的离子对的混合物）3- X - [R X（E =的Al，B; X = 0，1; R = Me中，我卜）（1，图2a / b，4）由于来自五氟苯基硼基团的迅速转移到铝生成的。因此，活化剂的分子比决定了溶液中存在的离子对的最终组成。当五氟苯基转移受到抑制时，离子对Cp * 2 Zr–（μ-Me）2 –AlMe 2（5）的形式与试剂比例无关。DNMR研究证明了这些解决方案的高动态性。在298 K下测定了13.6（12）kcal mol –1的激活的吉布斯自由能，用于离子对Cp
• Neutral and Cationic Aluminum and Titanium Complexes Incorporating Sterically Demanding Organosilicon Ligands
  作者：Virginia Amo、Román Andrés、Ernesto de Jesús、F. Javier de la Mata、Juan C. Flores、Rafael Gómez、M. Pilar Gómez-Sal、John F. C. Turner

  DOI：10.1021/om049010p

  日期：2005.5.1

  New complexes of aluminum and titanium containing sterically demanding ligands and their reaction with B(C6F5)3 are reported. Treatment of [(Ph2MeSiCH2CH2)3Si]NCN[Si(CH2CH2SiMePh2)3] (1) or Si(CH2CH2SiMePh2)3OH (2) with 1 equiv of AlMe3 results in the formation of the neutral dimethylaluminum complexes MeC[NSi(CH2CH2SiMePh2)3]2}AlMe2 (3) and [(Ph2MeSiCH2CH2)3SiOAlMe2]2 (4). Reaction of 3 with 1 equiv

  报道了含有铝和钛的空间上需要的配体的新配合物及其与B（C 6 F 5）3的反应。用1当量的AlMe处理[[（Ph 2 MeSiCH 2 CH 2）3 Si] NCN [Si（CH 2 CH 2 SiMePh 2）3 ]（1）或Si（CH 2 CH 2 SiMePh 2）3 OH（2）图3导致形成中性二甲基铝配合物MeC [NSi（CH 2 CH 2 SiMePh2）3 ] 2 } AlMe 2（3）和[（Ph 2 MeSiCH 2 CH 2）3 SiOAlMe 2 ] 2（4）。的反应3与1个当量B（C的6 ˚F 5）3种形式的中性络合物的MeC [NSI（CH 2 CH 2 SiMePh 2）3 ] 2 }阿尔梅（C 6 ˚F 5）（5）和BME（C 6 F 5）2。在4的情况下，类似的反应产生二聚体[（Ph 2 MeSiCH 2 CH 2）3 SiOAl] 2 Me 3（C 6 F
• Synthesis and Structure of Cyclic Trinuclear Zinc Disiloxides
  作者：Clemens Krempner、Helmut Reinke、Katja Weichert

  DOI：10.1002/ejic.200600957

  日期：2007.3

  The synthesis and structure of the new disilane-1,2-diol [(Me3Si)2SiOH]2 (2b) and the trinuclear zinc disiloxides of the formula [Me2Si(Me3Si)2SiO}2]2Zn3Me2 (3a), [(Me3Si)2SiO}2]2Zn3Me2 (3b) and [E-Me(Me3Si)3SiSiO}2]2Zn3Me2 (3c) are reported. Compounds 3a–c were prepared by reactions of the corresponding silanedioles 2a–c with ZnMe2. The results of an X-ray structure analysis of 3b reveal an almost

  新型乙硅烷-1,2-二醇 [(M​​e3Si)2SiOH]2 (2b) 和式 [Me2Si(Me3Si)2SiO}2]2Zn3Me2 (3a)、[(报道了 Me3Si)2SiO}2]2Zn3Me2 (3b) 和 [E-Me(Me3Si)3SiSiO}2]2Zn3Me2 (3c)。化合物 3a-c 是通过相应的硅烷二醇 2a-c 与 ZnMe2 反应制备的。3b 的 X 射线结构分析结果揭示了一个几乎完美的平面螺环 Zn3O4 核，内部 Zn2+ 离子具有方形平面几何形状，而在 3a,c 中，内部锌离子是扭曲的四面体。用 B(C6F5)3 处理后，化合物 3b,c 已定量转化为复合物 [(Me3Si)2SiO}2]2Zn3(C6F5)2 (4b) 和 [E-Me(Me3Si)3SiSiO}2] 2Zn3(C6F5)2 (4c)。（© Wiley-VCH Verlag GmbH & Co