168704-96-9

Upstream product

• 100-99-2 triisobutylaluminum 
• 1109-15-5 tris(pentafluorophenyl)borate 
• 1070-00-4 trioctylaluminum 
• 75-24-1 trimethylaluminum 
• 97-93-8 triethylaluminum 
• 536-74-3 phenylacetylene 

Downstream Products

• 845816-47-9 methyl metacrylate - tris(pentafluorophenyl)alane 
• 168704-95-8 (tetrahydrofuran)Al(pentafluorophenyl)3 
• 1190751-38-2 titanium(IV)[1,2-C₆H₄(NCH₂tBu)2]Cl₂ 
• 1254123-39-1 [(η5-C5H4SiMe3)NbMe2(OC6H3Me2-2,6)][MeAl(C6F5)3] 

Relevant academic research and scientific papers

Polymerization of MMA by oscillating zirconocene catalysts, diastereomeric zirconocene mixtures, and diastereospecific metallocene pairs

Characteristics of methyl methacrylate (MMA) polymerization using oscillating zirconocene catalysts, (2-Ph-Ind)2ZrX2 (X = Cl, 1; X = Me, 2), mixtures of rac- and meso-zirconocene diastereomers, (SBI)ZrMe2 [3, SBI = Me2Si(Ind)2] and (EBI)ZrMe2 [4, EBI = C2H4(Ind)2], as well as diastereospecific metallocene pairs, rac-4/Cp2ZrMe 2 (5) and rac-4/CGCTiMe2 [6, CGC = Me 2Si(Me4C5)(t-BuN)], are reported. MMA polymerization using the chloride catalyst precursor 1 activated with a large excess of the modified methyl aluminoxane is sluggish, uncontrolled, and produces atactic PMMA. On the other hand, the polymerization by a 2/1 ratio of 2/B(C6F5)3 or 2/Ph3CB(C 6F5)4 is controlled and produces syndiotactic PMMA. Mixtures of diastereomeric ansa-zirconocenes 3 or 4 containing various rac/meso ratios, when activated with B(C6F5)3, yield bimodal PMMA; this behavior is attributed to the meso-diastereomer that, in its pure form, affords bimodal, syndio-rich atactic PMMA. For MMA polymerization using diastereospecific metallocene pairs, rac-4/5 and rac-4/6, the isospecific catalyst site dominates the polymerization events under the conditions employed in this study, and the aspecific and syndiospecific sites are largely nonproductive, thereby forming only highly isotactic PMMA.

Unsolvated Al(C6F5)3: Structural features and electronic interaction with ferrocene

Alkyl/aryl ligand exchange between AlEt3 and B(C6F5)3 in hexanes enables the formation and isolation of the unsolvated Al(C6F5)3 as a crystalline solid, the structure of which ha

Elusive silane-alane complex [Si-H...Al]: Isolation, characterization, and multifaceted frustrated Lewis pair type catalysis

Abstract The super acidity of the unsolvated Al(C6F5)3 enabled isolation of the elusive silane-alane complex [Si-H...Al], which was structurally characterized by spectroscopic and X-ray diffraction methods. The Janus-like nature of this adduct, coupled with strong silane activation, effects multifaceted frustrated-Lewis-pair-type catalysis. When compared with the silane-borane system, the silane-alane system offers unique features or clear advantages in the four types of catalytic transformations examined in this study, including: ligand redistribution of tertiary silanes into secondary and quaternary silanes, polymerization of conjugated polar alkenes, hydrosilylation of unactivated alkenes, and hydrodefluorination of fluoroalkanes. Al does it all: The elusive silane-alane complex [Si-H...Al] was isolated and structurally characterized by spectroscopic and X-ray diffraction methods. The Janus-like nature of this adduct, coupled with strong silane activation, effects multifaceted frustrated-Lewis-pair-type catalysis. Its use in four different reactions is described.

Verkade Base in FLP Chemistry-From Stoichiometric C-H Bond Cleavage to the Catalytic Dimerization of Alkynes

Stoichiometric and catalytic reactions of terminal alkynes with various FLPs and Lewis acid-base adducts have been investigated. Reactions of phenylacetylene with FLPs composed of the Verkade base N[CH2CH2NPri]3

Round-Trip Oxidative Addition, Ligand Metathesis, and Reductive Elimination in a PIII/PVSynthetic Cycle

A synthetic cycle for aryl C-F substitution comprising oxidative addition, ligand metathesis, and reductive elimination at a Cs-symmetric phosphorus triamide (1, P{N[o-NMe-C6H4]2}) is reported. Reaction of 1 with perfluoroarenes (ArF-F) results in C-F oxidative addition, yielding fluorophosphoranes 1·[F][ArF]. The P-fluoro substituent is exchanged for hydride by treatment with DIBAL-H, generating hydridophosphoranes 1·[H][ArF]. Heating of 1·[H][ArF] regenerates 1 by C-H reductive elimination of ArF-H, where experimental and computational studies establish a concerted but highly asynchronous mechanism. The results provide well-characterized examples of the full triad of elementary mechanistic aryl C-X substitution steps at a single main-group site.

Ternary metallocene catalyst systems based on metallocene dichlorides and AlBu3i/[PhNMe2H] [B(C6F5)4] NMR investigations of the influence of Al/Zr ratios on alkylation and on formation of the precursor of the active metallocene species

The formation of the precursors of the polymerization-active species of the metallocene dichlorides Cp2ZrCl2 and Ph2C(CpFlu)ZrCl2 by successive reaction with AlBu3i and [PhNMe2H][B(C6F5)4] was investigated by means of NMR spectroscopy. More than two equivalents of AlBu3i are required for total conversion of the metallocene dichlorides in the first step. The reaction of Ph2C(CpFlu)ZrCl2 with AlBu3i leads exclusively to the mono-iso-butyl complex Ph2C(CpFlu)ZrClBui, independent of the surplus AlBu3i used, whereas in the case of Cp2ZrCl2 a series of metallocene products are observed, depending on the Al/Zr ratio used. When this ratio was increased to above 10, the reaction could be exclusively directed to form the dimer metallocene complex [Cp2ZrH2· AlBu3i]2. The reaction of [PhNMe2H][B(C6F5)4] with metallocene/aluminium alkyl mixtures prepared with 10, 20, 50 and 100 equivalents of AlBu3i leads to the precipitation of an oily liquid, which contains resulting cationic metallocene complexes. These liquid phases can be purified by extraction and subsequently used for NMR measurements. With one exception, mixtures of two or three different cationic metallocene products are obtained, depending on the Al/Zr ratio and on the metallocene ligand used. An Al/Zr ratio of 100 the reaction of the Ph2C(CpFlu)ZrCl2/AlBu3i mixture with [PhNMe2H][B(C6F5)4] exclusively leads to the cationic heterodinuclear metallocene complex [Ph2C(CpFlu)Zr-μ-H-μ-(C4H7)- AlBu3i]+, a novel type of allyl-bridged cation, which was characterized by NMR data. None of the reactions of metallocene dichloride/aluminium alkyl mixtures with [PhNMe2H][B(C6F5)4] lead to the degradation of [B(C6F5)4]-, whereas in the absence of metallocenes AlBu3i reacts with [PhNMe2H][B(C6F5)4] to give AlBu3-xi(C6F5)x compounds. Based on these results and with additional information from the literature a mechanism is proposed to explain the formation of [Ph2C(CpFlu)Zr-μ-H-μ-(C4H7) -AlBu2i]+. 2002 Published by Elsevier Science B.V.

Borato-cyclopentadienyl half-sandwich complexes. Crystal structures of [NEt4][C5H5B(C6F5) 3]·CH2Cl2 and [NEt4]2[{C5H4B(C

Cation exchange of [Li(THF)4]+[C5H5B(C 6F5)3]- with [NEt4][BF4] gives the stable, ether-free salt [NEt4]-[C5H5B(

Reaction of AlR3 with [CPh3][B(C6F 5)4]: Facile degradation of [B(C6F 5)4]- by transient [AlR2] +

Trimethylaluminum reacts with [CPh3][B(C6F 5)4] at elevated temperatures to give a mixture of AlMe3-x(C6F5)x compounds, depending on the Al/B ratio. AlBui3 reacts significantly faster under β-hydride abstraction. The Al-C6F5 species rapidly react with Cp2ZrMe2 or [Cp2ZrMe] + under C6F5 transfer to give poorly active Cp2ZrMe(C6F5); this reaction may have implications for the deactivation of Cp2ZrMe2/AlR 3/[CPh3][B(C6F5)4] olefin polymerization catalysts.