[(η(5)-pentamethylcyclopentadienyl)2ZrHF]

Base Information

• Chemical Name: [(η(5)-pentamethylcyclopentadienyl)2ZrHF]
• CAS No.: 87985-79-3
• Molecular Formula: C₂₀H₃₁FZr
• Molecular Weight: 381.689
• Mol file: 87985-79-3.mol

Synonyms:

Chemical Property of [(η(5)-pentamethylcyclopentadienyl)2ZrHF]

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [(η(5)-pentamethylcyclopentadienyl)2ZrHF]

There total 7 articles about [(η(5)-pentamethylcyclopentadienyl)2ZrHF] 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:

fluorobenzene (462-06-6) + (pentamethylcyclopentadienyl)2ZrH2 (61396-34-7) → (pentamethylcyclopentadienyl)2Zr(C6H5)F (383862-20-2) + [(η(5)-pentamethylcyclopentadienyl)2ZrHF] (87985-79-3)

Guidance literature:

With H₂; 1,2,4,5-tetramethylbenzene; In Cyclohexane-d12; byproducts: benzene; under N2; a NMR tube was charged with Zr complex in C6((2)H)12, fluorobenzene was added via syringe, the tube was freeze-pump-thaw degassed 3 times and H2 was added, the tube was heated at 85°C for 40 d; C6H2(CH3)4 had no effect on the react.; not isolated, monitored by NMR;

DOI:10.1021/ja016087l

Reference yield:

Hexafluorobenzene (392-56-3) + (pentamethylcyclopentadienyl)2ZrH2 (61396-34-7) → [(η(5)-pentamethylcyclopentadienyl)2ZrHF] (87985-79-3) + (η(5)-C5Me5)2ZrF2 + (η5-pentamethylcyclopentadienyl)Zr(C6F5)H (301195-57-3)

Guidance literature:

In not given; byproducts: C6F5H; treating perfluorobenzene with zirconium complex at 85°C for 1 d;

DOI:10.1021/ja001006r

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:

Hexafluorobenzene

(pentamethylcyclopentadienyl)2ZrH₂

perfluorotoluene

decafluorobiphenyl