triphenylmethyl [(tris(pentafluorophenyl)boran)2 cyanide] | 239805-47-1

• 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: triphenylmethyl [(tris(pentafluorophenyl)boran)2 cyanide]
• 英文别名: Diphenylmethylbenzene;tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidylazaniumylidynemethyl]boranuide
• CAS: 239805-47-1
• 化学式: C₁₉H₁₅*C₃₇B₂F₃₀N
• 分子量: 1293.32
• InChiKey: AKWQCNLUGVMMDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.57
• 重原子数：
  89
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  32

反应信息

• 作为反应物：
  描述：

  carbanide;trimethyl-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)silane;zirconium(4+) 、 triphenylmethyl [(tris(pentafluorophenyl)boran)2 cyanide] 在 (CH₃)3Al 作用下， 以 甲苯 为溶剂， 以53%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
• 作为产物：
  描述：

  三(五氟苯基)硼烷 、 氰化钾 、 三苯基氯甲烷 以 乙醚 、 二氯甲烷 为溶剂， 生成 triphenylmethyl [(tris(pentafluorophenyl)boran)2 cyanide]
  参考文献：
  名称：

  New weakly coordinating counter anions for high activity polymerisation catalysts: [(C6F5)3B–CN–B(C6F5)3]− and [Ni{CNB(C6F5)3}4]2−

  摘要：

  新的硼酸盐 [CPh3]+[CN{B(C6F5)3}2]− 和阴离子异氰基硼酸盐络合物 [Ni{CNB(C6F5)3}4]2− 可以在一锅反应中轻松获得并发挥作用作为茂金属聚合催化剂的高效活化剂；高达 53 000 s·1 的营业额似乎是迄今为止乙烯聚合催化剂报道的最高值。

  DOI：

  10.1039/a903788h

文献信息

• 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.