870558-70-6

Basic information

• Product Name: [(2-phenylindenyl)2ZrMe][CH₃B(C₆F₅)3]
• CAS NO: 870558-70-6
• Molecular Weight: 1015.78
• Mol File: 870558-70-6.mol

Chemical Properties

• CAS DataBase Reference: [(2-phenylindenyl)2ZrMe][CH₃B(C₆F₅)3](CAS DataBase Reference)
• NIST Chemistry Reference: [(2-phenylindenyl)2ZrMe][CH₃B(C₆F₅)3](870558-70-6)
• EPA Substance Registry System: [(2-phenylindenyl)2ZrMe][CH₃B(C₆F₅)3](870558-70-6)

Safety Data

• Hazardous Substances Data: 870558-70-6(Hazardous Substances Data)

Upstream product

• 172414-52-7 (2-phenylindenyl)2ZrMe₂ 
• 1109-15-5 tris(pentafluorophenyl)borate 

Downstream Products

• 870558-82-0 [(2-phenylindenyl)2Zr(2-methylpyridyl)][CH₃B(C₆F₅)3] 
• 870558-86-4 [(2-phenylindenyl)2Zr(2-ethylpyridyl)][CH₃B(C₆F₅)3] 
• 870558-89-7 [(2-phenylindenyl)2Zr(2-isopropylpyridyl)][CH₃B(C₆F₅)3] 
• 870558-93-3 [(2-phenylindenyl)2Zr(2-t-butylpyridyl)][CH₃B(C₆F₅)3] 
• 870558-97-7 [(2-phenylindenyl)2Zr(2-benzylpyridyl)][CH₃B(C₆F₅)3] 
• 870558-77-3 [(2-phenylindenyl)2Zr(2-pyridyl)][CH₃B(C₆F₅)3] 

Relevant articles and documents

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.

Dynamic NMR studies of cationic bis(2-phenylindenyl)zirconium pyridyl complexes: Evidence for syn conformers in solution

The conformationally dynamic unbridged metallocene (2-PhInd) 2ZrMe2 (1) was activated with trispentafluorophenylborane (B(C6F5)3, B2) or trityl tetrakispentafluorophenylborate ( trityl borate , [Ph 3C-][B(C6F5)4 -], B4) to generate the ion pair [(2-PhInd)2ZrMe+] [MeB-(C6F5)3-] (2a) or [(2-PhInd)2ZrMe+] [B(C6F5) 4-] (2b), respectively. Activation parameters for ion-pair separation were determined by line-shape analysis (2a: ΔH ips? = 20 ±1 kcal/mol, ΔS ips? = 17 ± 4 eu; 2b: ΔH ips? = 15 ±2 kcal/mol, ΔS ips? = 13 ± 7 eu). For 2a, a much slower B(C6F5)3 dissociation-reassociation process was also observed (ΔG83°C? = 18.9 ± 0.1 kcal/mol). Both 2a and 2b were treated with a series of o-substituted pyridines, and the behavior of the resulting zirconocenium-pyridyl complexes (3a-8b) was studied by 1H, 13C, and 19F NMR over the temperature range -100 to 100°C. Below room temperature, 1H NMR NOESY spectra revealed signals characteristic of a C s-symmetric syn conformation.