tris(pentafluorophenyl)borane*(diethyl ether) | 6867-36-3

• 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*(diethyl ether)
• 英文别名: tris(pentafluorophenyl)borane*Et2O；tris(pentafluorophenyl)borane * diethyl ether；triphenylborane*(diethyl ether)；Ethoxyethane;tris(2,3,4,5,6-pentafluorophenyl)borane；ethoxyethane;tris(2,3,4,5,6-pentafluorophenyl)borane
• CAS: 6867-36-3
• 化学式: C₄H₁₀O*C₁₈BF₁₅
• 分子量: 586.108
• InChiKey: VFVOXTITHWGSMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  N,N-二甲基苯胺硫酸盐 、 tris(pentafluorophenyl)borane*(diethyl ether) 以 二氯甲烷 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  具有离域硼酸盐结构的弱配位阴离子的合成、结构和反应性：茂金属聚合催化剂中阴离子效应的评估

  摘要：

  三（五氟苯基）硼烷与强配位阴离子如 CN(-) 和 [M(CN)(4)](2)(-) (M = Ni, Pd) 的加合物的形成是一种合成简便的途径体积大、配位极弱的阴离子 [CN[B(C(6)F(5))(3)](2)](-) 和 [M[CNB(C(6)F(5))(3)] (4)](2-) 分离为稳定的 NHMe(2)Ph(+) 和 CPh(3)(+) 盐。[CPh(3)][CN[B(C(6)F(5))(3)](2)] (1), [CPh(3)][ClB(C(6)F]的晶体结构(5))(3)] (2), [NHMe(2)Ph](2)[Ni[CNB(C(6)F(5))(3)](4)].2Me(2)CO (4b.2Me(2)CO), [CPh(3)](2)[Ni[CNB(C(6)F(5))(3)](4)].2CH(2)Cl(2) (4c.2CH(2)Cl(2)) 和 [CPh(3)](2)[Pd

  DOI：

  10.1021/ja002820h

文献信息

• Synthesis and structures of gold perfluorophthalimido complexes
  作者：Nicky Savjani、Simon J. Lancaster、Sean Bew、David L. Hughes、Manfred Bochmann

  DOI：10.1039/c0dt01134g

  日期：——

  compound [Ag(MeCN)2][AuN(CO)2C6F4}2]·MeCN (10·3MeCN). The tetrafluorophthalimido ligand is not readily displaced by donor ligands; however, the addition of B(C6F5)3(Et2O) to a diethyl ether solution of 8a leads to the salt [Au(PPh3)2][NCOB(C6F5)3}2C6F4)] 11. The analogous reaction of (THT)AuN(CO)2C6F4} with B(C6F5)3 in toluene in the presence of excess norbornene (nb) gives [Au(nb)3][NCOB(C6F5)3}2C6F4)]

  新的四氟邻苯二甲酰亚胺基阴离子[C 6 F 4（CO）2 N] -的化合物可通过以下方法容易地获得四氟邻苯二甲酰亚胺用LiNPr i 2或NEt 3和Me 3 ECl的混合物（E = Si或Sn），得到C 6 F 4（CO）2 N-X（X = Li 3，SiMe 3 4和SnMe 3 5）。三甲基甲硅烷基衍生物4与AgF的反应干净地导致离子对络合物[Ag（NCMe）2 ] [Ag（N（CO）2 C 6 F 4）2 ]（6 ·2MeCN），其中含有线性[Ag N（CO）2 C 6 F 4 } 2] -阴离子和四配位Ag +阳离子。化合物6与碘反应，得到N-碘化合物C 6 F 4（CO）2 NI 7，其结晶为乙腈加合物。用LAuCl处理6得到LAu N（CO）2 C 6 F 4 }（L = Ph 3 P 8a，Cy 3 P 8b或THT 9），而与AuCl的反应在乙腈得到异双核化合物[Ag（MeCN）2
• Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride
  作者：Wing-Por Leung、Wang-Kin Chiu、Thomas C. W. Mak

  DOI：10.1021/om3007739

  日期：2012.10.8

  spectroscopy. Structural analyses of compounds 2 and 3 are consistent with the presence of lone-pair electrons at the germanium(II) center. The Ge–Mo and Ge–W bond distances of 2.875(1) and 2.852(1) Å are consistent with Ge–metal single bonds. The chlorogermylene 1 was also used in the synthesis of a substituted germylene, [N(SiMe3)C(Ph)C(SiMe3)(C5H4N-2)}Ge(η1-C5H5)] (4), by reaction with sodium cyclopentadienylide

  的反应[N（森达3）C（PH）C（森达3）（C 5 H ^ 4 N-2）} GeCl]（1）用Na [M（η 5 -C 5 H ^ 5）（CO）3 ]·2 DME（M =钼，钨），得到metallogermylenes [N（森达3）C（PH）C（森达3）（C 5 H ^ 4 N-2）}的Ge-M（η 5 -C 5 H ^ 5）（CO）3 ]（M = Mo（2），W（3））。化合物2和3X射线晶体学，NMR和IR光谱已对其进行了表征。化合物2和3的结构分析与锗（II）中心存在的孤对电子一致。Ge-Mo和Ge-W键的距离为2.875（1）和2.852（1）Å与Ge-金属单键一致。所述chlorogermylene 1中的取代锗烯的合成也被用来，[N（森达3）C（PH）C（森达3）（C 5 H ^ 4 N-2）}葛（η 1 -C 5 ħ 5） ]（4），通过与环戊二烯化钠反应。化合物1的
• Synthesis and Structure of the Dimethyl Sulfide Adducts of Mono- and Bis(pentafluorophenyl)borane
  作者：Anna-Marie Fuller、David L. Hughes、Simon J. Lancaster、Callum M. White

  DOI：10.1021/om100152v

  日期：2010.5.10

  The borane dimethyl sulfide adduct H3B·SMe2 and the diethyl ether adduct of tris(pentafluorophenyl)borane, (C6F5)3B·OEt2, undergo facile exchange of hydride and pentafluorophenyl ligands, yielding (C6F5)2HB·SMe2 (1) and (C6F5)H2B·SMe2 (2) depending upon the ratio of reagents used. In the presence of excess dimethyl sulfide, both compounds can be isolated as colorless crystals, which have been structurally

  硼烷二甲硫醚加合物H 3 B·SMe 2和三（五氟苯基）硼烷二乙醚加合物（C 6 F 5）3 B·OEt 2易于氢化物和五氟苯基配体交换，生成（C 6 F 5）2 HB·SMe 2（1）和（C 6 F 5）H 2 B·SMe 2（2）取决于所用试剂的比例。在过量的二甲基硫醚存在下，两种化合物都可以分离为无色晶体，这在结构上已经得到了表征。
• Donor-Acceptor Adducts of a 1,3-Disila-2-oxyallyl Zwitterion
  作者：Michael J. Cowley、Volker Huch、David Scheschkewitz

  DOI：10.1002/chem.201402750

  日期：2014.7.21

  In the presence of a Lewis acid or base, cyclotrisilene cSi3Tip4 (Tip=2,4,6‐triisopropylphenyl) reacts with CO to form stable adducts of a 1,3‐disila‐2‐oxyallyl zwitterion. Coordination of an N‐heterocyclic carbene (NHC) to one silicon center results in a localized SiC bond, whereas B(C6F5)3 bonds to the carbonyl moiety leading to the delocalization of the positive charge over the oxyallyl moiety

  在路易斯酸或碱的存在下，环三甲硅c 3 Si 4尖端4（Tip = 2,4,6-三异丙基苯基）与CO反应形成1,3-二硅-2-氧-烯丙基两性离子的稳定加合物。N-杂环卡宾（NHC）与一个硅中心的配位产生局部SiC键，而B（C 6 F 5）3键与羰基键合，导致正电荷在氧烯丙基部分上的离域。对路易斯酸加合物的电子结构进行的计算分析表明，在1,3位的两个硅原子之间存在相当大的相互作用，因此具有类似于均环丙烯阳离子的芳香性。
• Kinetic and mechanism of alkene polymerization
  作者：M. Bochmann、R. D. Cannon、F. Song

  DOI：10.1134/s0023158406020029

  日期：2006.3

  Triphenylmethyl salts of the very weakly-coordinating borate anions [CNB(C6F5)(3)}(2)]-(1), [H2NB(C6F5)(3)}(2)]- and [MCNB(C6F5)(3)](4)](2-) (M = Ni, Pd) have been prepared in simple one-pot reactions. Mixtures of (SBI)ZrMe2/1/AlBu3i (SBI = rac-Me2Si(Ind)(2)) are 30-40 times more active in ethylene polymerizations at 60-100 degrees C than (SBI)ZrCl2/MAO. The quantification of anion effects on propene polymerization activity at 20 degrees C gives the order [CNB(C6F5)(3)}(2)](-) > [H2NB(C6F5)(3)}(2)](-) approximate to B(C6F5)(4)(-) >> [MeB(C6F5)(3)](-). The highest productivities were of the order of ca. 3.0 x 10(8) g PP (mol Zr)(-1) h(-1) [C3H6](-1), about 1.3-1.5 times higher than with B(C6F5)(4)(-) as the counter anion. The titanium system CGCTiMe(2)/1/AlBu3i gave activities that were very similar 3 c, to the zirconocene catalyst. The concentration of active species [,C*] as determined by quenched-flow kinetic techniques indicates typical values of around 10%, independent of the counter anion, for both the borate and MAO systems. Pulsed field-gradient spin echo and nuclear Overhauser effect NMR experiments on systems designed to be more realistic models for active species with longer polymeryl chains, (SBI)M(CH2SiMe3)(mu-PMe)B(C6F5)(3) and [(SBI)MCH2SiMe3+center dot center dot center dot B(C6F5)(4)(-)] (M = Zr, Hf), demonstrated the influence of bulky alkyl chains on the ion pair solution structures: while the MeB(C6F5)(3) compound exists as a simple inner-sphere ion-pair, the B(C6F5)(4)(-) compound is an outer-sphere ion pair (OSIP), a consequence of the relegation of the anion into the second coordination sphere by the gamma-agostic interaction with the alkyl ligand. The OSIP aggregates to ion hextuples (10 mM) or quadruples (2 mM). Implications for the polymerization mechanism are discussed; the process follows an associative interchange (I-a) pathway.