1,1'-Dibutylzirconocene Dichloride

Base Information

• Chemical Name: 1,1'-Dibutylzirconocene Dichloride
• CAS No.: 73364-10-0
• Molecular Formula: C18H26Cl2Zr
• Molecular Weight: 404.534
• Hs Code.: 29319019
• Mol file: 73364-10-0.mol

Synonyms:1,1'-Dibutylzirconocene Dichloride;D3321

Chemical Property of 1,1'-Dibutylzirconocene Dichloride

Chemical Property:

• Appearance/Colour: white crystalline powder or needles
• Melting Point: 98.7-99.4 °C(lit.)
• PSA: 0.00000
• LogP: 6.54280
• Sensitive.: Air & Light Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 402.045855
• Heavy Atom Count: 21
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1,1'-Dibutylzirconocene Dichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC1=CC=C[CH-]1.CCCCC1=CC=C[CH-]1.[Cl-].[Cl-].[Zr+4]
• Uses: Catalyst for:Copolymerization of ethylene-alpha-olefinEthylene polymerizationMetallocene supported catalyst

Technology Process of 1,1'-Dibutylzirconocene Dichloride

There total 1 articles about 1,1'-Dibutylzirconocene Dichloride 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: 68.0%

n-butyl cyclopentadiene (62247-87-4) + 1-(n-C4H9)C5H5 (78347-54-3) + zirconium(IV) chloride (10026-11-6) → bis(n-butylcyclopentadienyl)zirconium dichloride (73364-10-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 1,2-dimethoxyethane; hexane; 1:1 mixt. of 1- and 2-(n-C4H9)C5H5 was dissolved in THF and treated with n-BuLi in hexane followed by ZrCl4 in glyme; recrystd. from heptane; elem. anal.;

Reference yield: 87.0%

bis(n-butylcyclopentadienyl)zirconium dichloride (73364-10-0) + zirconium(IV) chloride (10026-11-6) → (2-butylcyclopenta-2,4-dienyl)zirconium(IV) chloride (329735-75-3)

Guidance literature:

In toluene; at 20 ℃; for 20h; Heating / reflux;

Reference yield:

bis(n-butylcyclopentadienyl)zirconium dichloride (73364-10-0) + (Me2Al(μ-OSiMe2C(CH3)3)2AlMeNMe2Ph)(B(C6F5)4) (511512-70-2) → Me2Al(μ-OSiMe2C(CH3)3)2AlMeCl (511512-72-4) + [((n-C4H9)C5H4)2ZrCl(μ-Cl)ClZr((n-C4H9)C5H4)2][B(C6F5)4] (511512-80-4)

Guidance literature:

In benzene-d6; byproducts: NMe2Ph; sealing of NMR tube with stock soln. of (((t-Bu)Me2SiO)2Al2Me3NMe2Ph)(B(C6F5)4) (excess) and ((n-Bu)C5H4)2ZrCl2 in C6D6 at room temp.; keeping at -80°C until the first meausurement; heating to 300 K; monitoring by NMR;

DOI:10.1021/om0207515

upstream raw materials:

n-butyl cyclopentadiene

1-(n-C₄H₉)C₅H₅

zirconium(IV) chloride

Downstream raw materials:

(2-butylcyclopenta-2,4-dienyl)zirconium(IV) chloride

Me2Al(μ-OSiMe2C(CH3)3)2AlMeCl

[((n-C4H9)C5H4)2ZrCl(μ-Cl)ClZr((n-C4H9)C5H4)2][B(C6F5)4]

Me2Al(μ-OSi(OSiMe3)3)2AlMeCl

Refernces