Decamethylzirconocene dichloride

Base Information

• Chemical Name: Decamethylzirconocene dichloride
• CAS No.: 54039-38-2
• Molecular Formula: C20H30Cl2Zr
• Molecular Weight: 432.588
• Hs Code.: 29310099
• Wikipedia: Decamethylzirconocene_dichloride
• Mol file: 54039-38-2.mol

Synonyms:Decamethylzirconocene dichloride

Chemical Property of Decamethylzirconocene dichloride

Chemical Property:

• Appearance/Colour: light green to yellow-green crystalline powder
• Vapor Pressure: 1.97mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 170.2 °C at 760 mmHg
• Flash Point: 44.4 °C
• PSA: 0.00000
• LogP: 7.32300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 430.077155
• Heavy Atom Count: 23
• Complexity: 75.1

Purity/Quality:

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

Decamethylzirconocene Dichloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Zr+2]Cl

Technology Process of Decamethylzirconocene dichloride

There total 5 articles about Decamethylzirconocene 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:

Cp*2(OCPh=CPh) → phenyl benzyl ketone (451-40-1) + bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride (54039-38-2)

Guidance literature:

With hydrochloric acid; In neat (no solvent); protonolysis of Zr-complex with excess of HCl;

DOI:10.1021/ja00196a080

Reference yield:

Cp'2Zr(OCH2CF3)2 (116437-00-4) → bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride (54039-38-2) + 2,2,2-trifluoroethanol (75-89-8)

Guidance literature:

With HCl; In toluene; titrn. calorimetric expt., titrn. of a soln. of Cp'2Zr(OCH2CF3)2 in toluene into a soln. of HCl in toluene; products not isolated, react. was monitored in prior expts. by NMR;

DOI:10.1021/ja00231a020

Reference yield:

Cp'2Zr(OC6F5)2 (116436-98-7) → bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride (54039-38-2) + 2,3,4,5,6-pentafluorophenol (771-61-9)

Guidance literature:

With HCl; In toluene; titrn. calorimetric expt., titrn. of a soln. of Cp'2Zr(OC6F5)2 in toluene into a soln. of HCl in toluene; products not isolated, react. was monitored in prior expts. by NMR;

DOI:10.1021/ja00231a020

upstream raw materials:

Cp'2Zr(OCH₂CF₃)2

Cp'2Zr(OC₆F₅)2

bis(pentamethylcyclopentadienyl)zirconium dimethyl

tris(pentafluorophenyl)borate

Downstream raw materials:

zirconocene dichloride

(pentamethylcyclopentadienyl)2ZrCl(PH(C₆H₂-2,4,6-t-Bu₃))

bis(pentamethylcyclopentadienyl)zirconium dimethyl

diphenylpermethylzirconocene

Refernces

• 1、 Guo, Zhaoyu,Swenson, Dale C.,Guram, Anil S.,Jordan, Richard F.. "Isolable zirconium(IV) carbonyl complexes. Synthesis and characterization of (C5R5)2Zr(η2-COCH 3)(CO)+ species (R = Me, H)". . p. 766 - 773. Retrieved 2008/10/08.