(η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H

Base Information

• Chemical Name: (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H
• CAS No.: 404028-87-1
• Molecular Formula: C₂₆H₃₂F₄Zr
• Molecular Weight: 511.758
• Mol file: 404028-87-1.mol

Synonyms:

Chemical Property of (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H

There total 3 articles about (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H 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: 63.0%

(pentamethylcyclopentadienyl)2ZrH2 (61396-34-7) + bis(2,3,4,5-tetrafluorophenyl)mercury (22871-68-7) → (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H (404028-87-1)

Guidance literature:

In pentane; byproducts: H2, Hg; a soln. of complex in pentane was added dropwise to a slurry of Hg-compound in pentane at room temp., the mixt. was stirred for 30 min (N2); filtered, stripped to dryness; crystd. from pentane at -30°C; elem. anal.;

DOI:10.1021/om010888f

Reference yield:

(η5-pentamethylcyclopentadienyl)Zr(C6F5)H (301195-57-3) → (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H (404028-87-1) + (C5(CH3)5)(C5(CH3)4CH2C6F4)ZrF (404028-86-0) + (C5(CH3)5)(C5(CH3)4CH2)Zr(C6F5)

Guidance literature:

With 1,2,4,5-tetramethylbenzene; In Cyclohexane-d12; byproducts: C6H2(CH3)4(C6F4); a soln. of complex and durene in cyclohexane-d12 in NMR tube was heated in a 120°C oil bath for 4 days; not sepd., detected by NMR spectra;

DOI:10.1021/om010888f

Reference yield:

(pentamethylcyclopentadienyl)2ZrH2 (61396-34-7) + Pentafluorobenzene (363-72-4) → [(η(5)-pentamethylcyclopentadienyl)2ZrHF] (87985-79-3) + (η(5)-C5Me5)2ZrF2 + (η5-pentamethylcyclopentadienyl)Zr(C6F5)H (301195-57-3) + (η5-pentamethylcyclopentadienyl)Zr(o-C6F4H)H (404028-87-1) + (η5-pentamethylcyclopentadienyl)Zr(p-C6F4H)H

Guidance literature:

With H₂; In Cyclohexane-d12; byproducts: o-C6F4H2, p-C6F4H2; under N2; in NMR tube; Zr complex dissolved in cyclohexane-d12; H2 placed over the mixt.; C6F5H (20 equiv.) added; heated at 85°C for 6 h; not isolated; detd. by (1)H and (19)F NMR spectra and GC-MS; mixt. of (C5Me5)2ZrHF, (C5Me5)2Zr(o-C6F4H)H, (C5Me5)2Zr(C6F5)H, o-C6F4H2, p-C6F4H2 and (C5Me5)2ZrF2 (3:2:1:0.6:0.46:0.2) obtained;

DOI:10.1016/S0022-328X(02)01640-6

upstream raw materials:

(pentamethylcyclopentadienyl)2ZrH₂

Pentafluorobenzene

(η5-pentamethylcyclopentadienyl)Zr(C6F5)H

bis(2,3,4,5-tetrafluorophenyl)mercury

Downstream raw materials:

(C₅(CH₃)5)2ZrF(C₆F₄H)