[(η(5)-C5H4Me)2Fe][B(C6H5)4] | 123264-20-0

• 英文名称: [(η(5)-C5H4Me)2Fe][B(C6H5)4]
• 英文别名: {η(5)-Cp'2Fe}{B(C6H5)4}
• CAS: 123264-20-0
• 化学式: C₁₂H₁₄Fe*C₂₄H₂₀B
• 分子量: 533.324
• InChiKey: GJOVMRMCRYCFGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (π-C5H5)2Ti(CH2C6H5)2 、 [(η(5)-C5H4Me)2Fe][B(C6H5)4] 在 THF 作用下， 以 四氢呋喃 为溶剂， 以27%的产率得到bis(cyclopentadienyl)bis(tetrahydrofuran)titanium(III) tetrafluoroborate
  参考文献：
  名称：

  Borkowsky, Samuel L.; Baenziger, Norman C.; Jordan, Richard F., Organometallics, 1993, vol. 12, # 2, p. 486 - 495

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基二茂铁 、 四苯硼钠 在 H₂SO₄ 作用下， 以 水 为溶剂， 以91.9%的产率得到[(η(5)-C5H4Me)2Fe][B(C6H5)4]
  参考文献：
  名称：

  衍生自可溶性阳离子氢化物（C5H4Me）2Zr（H）（THF）+的阳离子烷基，烯基和烯丙基络合物的合成与化学

  摘要：

  DOI：

  10.1021/om00114a026

文献信息

• Cationic Zirconium Complexes that Contain Mesityl-Substituted Diamido/Donor Ligands. Decomposition via CH Activation and Its Influence on 1-Hexene Polymerization
  作者：Yann Schrodi、Richard R. Schrock、Peter J. Bonitatebus

  DOI：10.1021/om010247k

  日期：2001.8.1

  with [Ph3C][B(C6F5)4] led to formation of unobservable [MesNMe]ZrNp}[B(C6F5)4], which decomposed by CH activation of an ortho mesityl methyl group to give an inactive dimer of [activ-MesNMe]Zr}[B(C6F5)4], or in the presence of dimethylaniline by β methyl elimination to give [MesNMe]ZrMe(PhNMe2)}[B(C6F5)4]. [MesNMe]ZrMe}[B(C6F5)4] also decomposes to give the dimer of [activ-MesNMe]Zr}[B(C6F5)4] with

  二烷基配合物[MesNMe] ZrMeNp（2B）和[MesNMe] ZrNp 2（[MesNMe] 2 - = [（MesNCH 2 CH 2）2 NME] 2 - ; Np个= CH 2 CME 3）中制备，并显示出歪曲两个酰胺基占据赤道位置的三角双锥体结构。在轴向位置发现2b中的新戊基。化合物2b中被发现转换为另一种物质（图2a中的第一阶的方式与）ķ = 1.68×10 - 3分钟- 1在20°C下达到平衡，在C 6 D 6中的K eq = [ 2a ] / [ 2b ] = 0.43 。用[Ph 3 C] [B（C 6 F 5）4 ]激活[MesNMe] ZrMeNp导致形成不可观察到的[MesNMe] ZrNp} [B（C 6 F 5）4 ]，其通过CH的CH活化而分解。邻甲基甲基得到[activ-MesNMe] Zr} [B（C 6 F 5）4 ]的非活性二聚体，或在二甲基
• Synthesis of Group 4 [(RN-o-C6H4)2O]2− complexes where R is SiMe3 or 0.5 Me2SiCH2CH2SiMe2
  作者：Richard R. Schrock、Lan-Chang Liang、Robert Baumann、William M. Davis

  DOI：10.1016/s0022-328x(99)00450-7

  日期：1999.12

  ligand ([1]2−) of the type [1]M(NMe2)2, [1]MCl2, and [1]MMe2 have been prepared where M=Ti, Zr, or Hf. Although cations prepared by addition of [Ph3C][B(C6F5)4] or [PhNMe2H][B(C6F5)4] to [1]ZrMe2 or [1]HfMe2 could not be observed in NMR studies, addition of [(η5-C5H4Me)2Fe][B(C6H5)4] to [1]HfMe2 in the presence of THF led to isolation of [1]HfMe(THF)2}[B(C6H5)4]. An X-ray study showed the cation to be a

  包含类型[ 1 ] M（NMe 2）2，[ 1 ] MCl 2和[[Me 3 SiN- o -C 6 H 4）2 O] 2-配体（[ 1 ] 2-）的配合物[ 1 ] MMe 2已经制备，其中M ＝ Ti，Zr或Hf。尽管阳离子是通过将[Ph 3 C] [B（C 6 F 5）4 ]或[PhNMe 2 H] [B（C 6 F 5）4 ]添加到[1 ] ZrMe 2或[ 1 ] HfMe 2不能在NMR研究中观察到，除[（η的5 -C 5 H ^ 4 Me）的2的Fe] [B（C 6 H ^ 5）4 ]至[ 1 ] HfMe 2在THF存在下，导致[ 1 ] HfMe（THF）2 } [B（C 6 H 5）4 ]的分离。X射线研究表明，该阳离子为扭曲的八面体，其中[ 1 ] 2−配体位于聚合物中布置与平面NC 2 OC 2 N布置明显不同。THF配体彼此反式。活化的[ 1 ] ZrMe 2不
• Synthesis and structural characterization of (C5Me5)Zr(R)2(L)n+ complexes
  作者：Donna J. Crowther、Richard F. Jordan、Norman C. Baenziger、Akilkumar Verma

  DOI：10.1021/om00159a028

  日期：1990.9
• Synthesis and chemistry of Cp2Zr(Ph)(THF)+. Selectivity of protolytic and oxidative Zr-R bond-cleavage reactions
  作者：Samuel L. Borkowsky、Richard F. Jordan、Garry D. Hinch

  DOI：10.1021/om00051a012

  日期：1991.5

  The neutral complexes Cp2Zr(R)2 (R = CH3 (1), CH2Ph (2)) react with [Cp'2Fe][BPh4] in THF via oxidative Zr-R bond cleavage to yield [Cp2Zr(R)(THF)][BPh4] (R = CH3 (3), R = CH2Ph (4)). No reaction is observed with Cp2Zr(Ph)2 (5). The mixed phenyl-alkyl complexes Cp2Zr(Ph)(R) (R = CH3 (9), CH2Ph (10)) react with Cp'2Fe+ in THF to yield 3 and Cp2Zr(Ph)(THF)+ (6), respectively. The susceptibility of Zr-CH2Ph bonds to oxidative cleavage is ascribed to the low bond energy. Reaction of 5 with [HN(CH3)2Ph][BPh4] in THF also produces 6 in good yield. Complexes 1, 2, and 5 react with [HN(CH3)3][BPh4] to yield [Cp2Zr(R)(OCH2CH2CH2CH2N(CH3)3][BPh4] (R = CH3 (15), CH2Ph (13), and Ph (12)) via Zr-R bond protonolysis and subsequent nucleophilic THF ring opening. Reactions of 10 and 9 with [HN(CH3)3][BPh4] yield 13 and 15 via initial selective Zr-Ph protonolysis. Complex 1 reacts with [HN((n)Bu)3][BPh4] in THF to yield 3 whereas neither 2 nor 5 react. The selectivity and qualitative rates of these reactions indicate that ease of Zr-R bond protonolysis varies in the order Zr-Ph > Zr-CH3 > Zr-CH2Ph and that steric effects also strongly influence reactivity. Complex 6 reacts rapidly with 2 equiv of PMe3 in THF solvent to yield Cp2Zr(Ph)(PMe3)2+ (16) and with 2-methylpyridine (alpha-picoline) in CD2Cl2 solvent to yield Cp2Zr(eta-2(N,-C)-picolyl)(THF)+ (17). Complex 6 initiates the ring-opening polymerization of THF and does not react with 2-butyne in CD2Cl2.
• Synthesis and structures of neutral and cationic rac-(ethylenebis(tetrahydroindenyl))zirconium(IV) benzyl complexes
  作者：Richard F. Jordan、Robert E. LaPointe、Norman Baenziger、Garry D. Hinch

  DOI：10.1021/om00119a028

  日期：1990.5