38010-72-9

Basic information

• Product Name: TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM
• Synonyms: TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM;Zirconium, tetrakis(2,2-dimethylpropyl)-;Tetrakis(2,2-dimethylpropyl)zirconium(IV);Tetra-neopentyl-zirconiuM-(IV);Tetrakis(neopentyl)zirconium;Tetraneopentylzirconium
• CAS NO: 38010-72-9
• Molecular Formula: C₂₀H₄₄Zr
• Molecular Weight: 375.78736
• Mol File: 38010-72-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 111-112 °C(lit.)
• Boiling Point: 7.2°Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 1420mmHg at 25°C
• CAS DataBase Reference: TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM(CAS DataBase Reference)
• NIST Chemistry Reference: TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM(38010-72-9)
• EPA Substance Registry System: TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM(38010-72-9)

Safety Data

• Safety Statements: 22-24/25
• Hazardous Substances Data: 38010-72-9(Hazardous Substances Data)

Usage

Description

Tetrakis(2,2-dimethylpropyl)zirconium is an organometallic compound characterized by a central zirconium atom bonded to four 2,2-dimethylpropyl ligands. It is known for its stability and reactivity, making it a valuable catalyst in various chemical processes.
Used in Chemical Industry:
Tetrakis(2,2-dimethylpropyl)zirconium is used as a catalyst for olefin polymerization, facilitating the synthesis of polyolefins and other polymers. Its reactivity and stability contribute to the efficient production of these materials.
Used in Specialty Chemicals Production:
TETRAKIS(2,2-DIMETHYLPROPYL)ZIRCONIUM is utilized in the production of specialty chemicals, where its catalytic properties aid in the synthesis of unique and high-value chemical products.
Used in Plastics and Elastomers Manufacturing:
Tetrakis(2,2-dimethylpropyl)zirconium is employed as a catalyst in the manufacturing process of plastics and elastomers, enhancing the production efficiency and quality of these materials.

InChI:InChI=1/4C5H11.Zr/c4*1-5(2,3)4;/h4*1H2,2-4H3;/q4*-1;+4

Upstream product

• 78068-02-7 Zr(CH₂C(CH₃)3)2Cl₂(CH₃CH₂OCH₂CH₃)2 
• 19978-31-5 bis(neopentyl)magnesium 
• 78067-93-3 Zr(CH₂C(CH₃)3)3Cl(P(CH₃)3) 
• 10026-11-6 zirconium(IV) chloride 
• 13132-23-5 2,2-dimethylpropylmagnesium chloride 

Downstream Products

• 758705-85-0 [Zr((3,5-dimethylphenyl)pyridin-2-ylamido)4] 
• 758705-89-4 [Zr(2,4-dimethylphenyl)(6-methylpyridin-2-yl)amido)2(neopentyl)2] 
• 758705-92-9 [Zr((2-isopropylphenyl)(6-methylpyridin-2-yl)amido)2(neopentyl)2] 
• 758705-95-2 [Zr(pyridin-2-yl(2,4,6-trimethylphenyl)amido)2(neopentyl)2] 
• 758705-98-5 [Zr(6-methylpyridin-2-yl)(2,4,6-trimethylphenyl)amido)(neopentyl)3] 
• 758705-86-1 [Zr((3,5-di-tert-butyphenyl)pyridin-2-ylamido)4] 
• 201020-10-2 ((C₁₃H₁₅N₂)2)Zr(CH₂C(CH₃)3)⁽¹⁺⁾*B(C₆F₅)4^(1-)=[((C₁₃H₁₅N₂)2)Zr(CH₂C(CH₃)3)][B(C₆F₅)4] 
• 151898-14-5 Zr(CH₂C(CH₃)3)3(OC₆H₂(CH₃)(C(CH₃)3)2) 

Relevant articles and documents

Molecular understanding of alumina supported single-site catalysts by a combination of experiment and theory

The nature and structure of grafted organometallic complexes on γ-alumina are studied from a combination of experimental data (mass balance analysis, IR, NMR) and density functional theory calculations. The chemisorptive interactions of two complexes are analyzed and compared. The reaction of [Zr(CH2Su)4] with alumina dehydroxylated at 500 °C gives {[(AlsO)2Zr(CH2tBu)] +[(tBuCH2)(Als)]-}, a bisgrafted cationic complex as major surface species. The DFT calculations show that the reaction with surface hydroxyls is very exothermic and that alkyl transfer on Al atoms is favored. In contrast, [W(≡CtBu)(CH2tBu)3] reacts with an alumina treated under identical conditions to give selectively a monografted neutral surface complex, [(AlsO)W(≡CtBu)(CH 2tBu)2], This was inferred by the evolution of 1 equiv of tBuCH3 per grafted W and the presence of remaining hydroxyls. The calculations show that the reaction of [W(≡CtBu)(CH2tBu) 3] with surface hydroxyls is in fact less exothermic and has a considerably higher activation barrier than the one of the Zr complex. Additionally, the transfer of an alkyl ligand onto an adjacent Al center is disfavored, and hence cationic species are not formed. Some ligands of this monoaluminoxy surface complex interact with remaining surface hydroxyls, which explains the complexity of the experimental NMR and IR data.

ATTEMPTS TO PREPARE ALKYLIDENE ZIRCONIUM COMPLEXES BY α-HYDROGEN ATOM ABSTRACTION

We prepared several new neopentyl halide complexes of zirconium in order to test whether they could be induced to lose neopentane and give neopentylidene complexes by adding phosphorus or nitrogen donor ligands.ZrNp2X2 (X=Cl or Br) can be prepared in ether and isolated as a dietherate (an oil).It reacts with L (L=PMe3, PMe2Ph, NEt3, 1/2 DMPE, 1/2 TMEDA) to give ZrNp2X2L2.ZrNp3Cl can be prepared by adding MgNp2 to ZrNp2Cl2(ether)2 and isolated by sublimation in 25percent yield.On adding PMe3 or TMEDA, it disproportionates to ZrNp4 and ZrNp2Cl2L2.ZrCp''NpCl2 (Cp''=η5-C5Me5), ZrCp''Np2Cl, and ZrCp''Np3 were prepared by adding MgNp2 to ZrCp''Cl3.Only the last is a solid, only the first forms an adduct, ZrCp''NpCl2(PMe3).None of the complexes decomposed to tractable products in the presence of L.Photolysis of ZrNp2Cl2(PMe3)2 yielded 2 by an apparently complex reaction initiated by homolytic Zr-Np bond fission.