81476-73-5

Basic information

• Product Name: (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE
• Synonyms: (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE
• CAS NO: 81476-73-5
• Molecular Formula: C₁₅H₂₀Cl₂Zr
• Molecular Weight: 362.45
• Mol File: 81476-73-5.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE(81476-73-5)
• EPA Substance Registry System: (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE(81476-73-5)

Safety Data

• Hazardous Substances Data: 81476-73-5(Hazardous Substances Data)

Usage

General Description

(CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE is a chemical compound composed of zirconium, chlorine, and two cyclopentadienyl ligands. It is commonly used as a catalyst in organic synthesis reactions, particularly in olefin polymerization and metathesis reactions. (CYCLOPENTADIENYL)(PENTAMETHYLCYCLOPENTADIENYL)ZIRCONIUM DICHLORIDE is known for its high activity and selectivity, making it a valuable tool in the production of various industrial and commercial materials. Additionally, it has been studied for potential applications in pharmaceuticals and materials science due to its unique reactivity and stability.

Upstream product

• 81476-76-8 dimethyl η5-cyclopentadienyl η5-pentamethylcyclopentadienyl zirconium 
• 819-79-4 diisopropylamine hydrochloride 
• 7758-95-4 lead(II) chloride 
• 7647-01-0 hydrogenchloride 
• 141272-86-8 CpCp'Zr{η2-C(N-2,6-Me2C6H3)GePh3}Cl 
• 76-83-5 trityl chloride 
• 7698-05-7 hydrogen chloride 
• 51905-34-1 pentamethylcyclopentadienyllithium 

Downstream Products

• 118201-93-7 (C(CH₃)3)2PPHP(C(CH₃)3)2 
• 15573-38-3 Tris(trimethylsilyl)phosphane 
• 819-19-2 di-tert-butylphosphine 
• 1432036-81-1 C₃₁H₅₆P₆Zr 
• 15573-39-4 bis(trimethylsilyl)phosphine 
• 1432036-83-3 C₃₉H₇₆N₄P₆Zr 
• 128388-72-7 tetrakis(diisopropylamino)diphosphane 
• 125484-53-9 1,1-Bis-(diisopropylamino)-2,2-bis-(trimethylsilyl)-diphosphan 
• 942600-41-1 [Zr(η5-cyclopentadienyl)(η5-pentamethylcyclopentadienyl)(neopentyl)2] 
• 942600-57-9 [Zr(η5-cyclopentadienyl)(η5-pentamethylcyclopentadienyl)Cl(neopentyl)] 
• 138260-05-6 (C₅H₅)(C₅(CH₃)5)Zr(CH₂P(C₆H₅)2)2 
• 141272-73-3 (C₅H₅)(C₅(CH₃)5)Zr(Sn(C₆H₅)3)Cl 
• 141272-87-9 (C₅H₅)(C₅(CH₃)5)Zr(C₆H₅)Cl 
• 141272-72-2 (C₅H₅)(C₅(CH₃)5)Zr(Ge(C₆H₅)3)Cl 

Relevant articles and documents

MECHANISMS OF STEREOCHEMICAL CONTROL IN PROPYLENE POLYMERIZATIONS WITH SOLUBLE GROUP 4B METALLOCENE/METHYLALUMOXANE CATALYSTS.

The soluble bis(cyclopentadienyl)bis(phenyl)titanium/methylalumoxane catalyst system produces isotactic polypropylene with a novel stereoblock microstructure consistent with a chain-end stereochemical control mechanism. Chiral catalysts derived from the racemic enantiomers of ethylene-bridged indenyl derivatives are the first metallocene catalysts to form isotactic polypropylene with the conventional structure predicted by an enantiomorphic-site stereochemical control model. The meso achiral form of the ethylene-bridged titanium indenyl diastereomers and zirconocene derivatives produce polypropylene with an ideally atactic structure. Differing regiospecificities during cis addition with soluble Ti and V chain-end controlled stereospecific systems result in Ti being isotactic specific and V being syndiotactic specific.

Selective halodemethylation reactions of metallocene dimethyls with triphenylmethyl chloride and benzyl bromide

NMR-scale reactions of several group 4 metallocene dimethyls with either trityl chloride or benzyl bromide gave the corresponding L2M(Me)X complexes selectively. Five reactions, including syntheses of Cp2-Zr(Me)Cl and Ind2Zr(Me)Cl, were conducted on a preparative scale to afford useful isolated yields of L2M-(Me)Cl complexes.

Reactions of (η5-C5H5)(η5-C5Me5)ZrX (X = Cl, Me) complexes with carbon monoxide and the isocyanide 2,6-Me2C6H3NC. Crystal structure of (η5-C5H5)(η5C5Me5)Zr2-C(N-2,6-Me2C6H3)Si(SiMe3)3>Cl

The new tris(trimethylsilyl)silylzirconium derivative (η5-C5H5)(η5-C5Me5)ZrCl (1) is prepared by reaction of (Η5-C5H5)(η5-C5Me5)ZrCl2 with (THF)3LiSi(SiMe3)3.Mixed alkyl/silyl complex (η5-C5H5)(η5-C5Me5)ZrMe (2) is obtained after treatment of 1 with MeMgBr.Reactions of compounds 1 and 2 with carbon monoxide and 2,6-Me2C6H3NC are described.Carbon monoxide inserts cleanly into the Zr-Si bond of 1, giving the η2-silaacyl (η5-C5H5)(η5-C5Me5)Zr2-COSi(SiMe3)3>Cl (3).The reaction of 2 with CO proceeds via the intermediate (η5-C5H5)(η5-C5Me5)Zr2-COSi(SiMe3)3>Me (4) to the enolate hydride (η5-C5H5)(η5-C5Me5)ZrH (5).A mechanism for this rearrangement is proposed.This chemistry contrasts with that previously observed for (η5-C5H5)2ZrMe, which reacts with CO to cleanly give the stable acyl (η5-C5H5)2Zr(η2-COMe).Methyl iodide and compound 5 react to give the iodide (η5-C5H5)(η5-C5Me5)ZrI (6) and methane.The reaction of 5 with 2 equivalents of HCl provides a new synthetic route to an acysilane MeCOSi(SiMe3)3.Reactions of 1 and 2 with the isocyanide 2,6-Me2C6H3NC give the insertion products (η5-C5H5)(η5-C5Me5)Zr2-C(N-2,6-Me2C6H3)Si(SiMe3)3>Cl (7) and (η5-C5H5)(η5-C5Me5)Zr2-C(N-2,6-Me2C6H3)-Me>Si(SiMe3)3 (8), respectively.Steric crowding in these compounds is evidenced by restricted rotation about the N-C(xylyl) bonds.An X-ray crystal structure of 7 has been determined.Crystals of 7 are monoclinic, P21/c, with a 18.276(6) Angstroem, b 9.993(3) Angstroem, c 21.550(5) Angstroem, β 106.25(3) deg; V 3779(2) Angstroem3, Z = 4, RF 6.63percent RwF 6.48percent.