Zirconium, dimethylbis[(1,2,3,4,5-eta5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-

Base Information

• Chemical Name: Zirconium, dimethylbis[(1,2,3,4,5-eta5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-
• CAS No.: 67108-80-9
• Molecular Formula: C22H36 Zr
• Molecular Weight: 391.752
• Mol file: 67108-80-9.mol

Synonyms:E78306;Zirconium, dimethylbis[(1,2,3,4,5-.eta.)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-;Zirconium, dimethylbis[(1,2,3,4,5-.eta.5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-

Chemical Property of Zirconium, dimethylbis[(1,2,3,4,5-eta5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-

Chemical Property:

• Vapor Pressure: 1.97mmHg at 25°C
• Melting Point: 205-207 °C (dec.)(lit.)
• Boiling Point: 170.2 °C at 760 mmHg
• Flash Point: 91 ºC
• PSA: 0.00000
• LogP: 7.11160
• Sensitive.: air sensitive, moisture sensitiv
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 390.186400
• Heavy Atom Count: 23
• Complexity: 258

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(pentamethylcyclopentadienyl)dimethylzirconium(IV), 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [CH3-].[CH3-].C[C-]1[C-]([C-]([C-]([C-]1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Zr]
• Uses: Bis(pentamethylcyclopentadienyl)dimethylzirconium is a zirconium complex which can be used as a polymerization catalyst.

Technology Process of Zirconium, dimethylbis[(1,2,3,4,5-eta5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-

There total 5 articles about Zirconium, dimethylbis[(1,2,3,4,5-eta5)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

(η(5)-C5Me5)2ZrF2 + trimethylaluminum (75-24-1) → bis(pentamethylcyclopentadienyl)zirconium dimethyl (67108-80-9)

Guidance literature:

In toluene; N2-atmosphere; room temp. (5 h); evapn. (vac.), recrystn. (n-hexane, -25°C), filtering, drying (vac.); elem. anal.;

DOI:10.1021/om950590n

Reference yield: 86.0%

bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride (54039-38-2) + methyllithium (917-54-4) → bis(pentamethylcyclopentadienyl)zirconium dimethyl (67108-80-9)

Guidance literature:

In diethyl ether; byproducts: LiCl; MeLi (Et2O) is added to (C5Me5)2ZrCl2 (Et2O) under Ar, mixt. is stirred for 6 h.; Evapn., extn. (petroleum ether), concg. yields ppt., cooling to -78°C, filtn.;

Reference yield:

Cp*2Zr(NMe2)2 (681856-48-4) + trimethylaluminum (75-24-1) → bis(pentamethylcyclopentadienyl)zirconium dimethyl (67108-80-9) + Cp*2Zr(μ-Me)AlMe2

Guidance literature:

In dichloromethane-d2; Al/Zr=2-8, reacted in NMR tube; not isolated, detected by NMR;

DOI:10.1016/j.molcata.2003.09.024

upstream raw materials:

trimethylaluminum

bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride

methyllithium

Cp*2Zr(NMe₂)2

Downstream raw materials:

1,1,1-tri-p-tolyl-ethane

Triphenylethan

[(Cp*)2Zr(η2-CH2NMePh)][B(C6F5)4]

(C₅(CH₃)5)2ZrOC₆H₄P(CH(CH₃)2)2⁽¹⁺⁾*B(C₆F₅)4^(1-)=(C₅(CH₃)5)2ZrOC₆H₄P(CH(CH₃)2)2B(C₆F₅)4

Refernces

• 1、 Kim, Il,Ha, Chang-Sik. "Polymerization of ethylene with (C5Me5) 2Zr(NMe2)2 cocatalyzed by common alkyl aluminums". . p. 47 - 52. Retrieved 2004.
• 2、 Rocchigiani, Luca,Bellachioma, Gianfranco,Zuccaccia, Cristiano,MacChioni, Alceo. "An NMR study on the reaction of substituted dimethyl zirconocenes with dimethylanilinium borate". . p. 32 - 40. Retrieved 2012/09/11.