90491-53-5

Basic information

• Product Name: zirconocene bis(pentafluorophenoxide)
• CAS NO: 90491-53-5
• Molecular Weight: 587.528
• Mol File: 90491-53-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: zirconocene bis(pentafluorophenoxide)(CAS DataBase Reference)
• NIST Chemistry Reference: zirconocene bis(pentafluorophenoxide)(90491-53-5)
• EPA Substance Registry System: zirconocene bis(pentafluorophenoxide)(90491-53-5)

Safety Data

• Hazardous Substances Data: 90491-53-5(Hazardous Substances Data)

Upstream product

• 37342-98-6 bis(cyclopentadienyl)dihydrozirconium 
• 22577-86-2 trimethylpentafluorophenoxysilane 
• 771-61-9 2,3,4,5,6-pentafluorophenol 
• 64-17-5 ethanol 
• 1187043-19-1 zirconocene tert-butyl pentafluorophenoxide 
• 592-41-6 1-hexene 
• 12636-72-5 bis(cyclopentadienyl)dimethylzirconium(IV) 
• 269056-74-8 trityl*hexakis(pentafluorophenoxy)niobium 

Downstream Products

• 1187043-33-9 zirconocene n-hexyl pentafluorophenoxide 
• 1187043-37-3 (η5-cyclopentadienyl)2Zr(CH(Ph)Me)(pentafluorophenolato) 
• 1187043-29-3 (η5-cyclopentadienyl)2Zr(CH2CH2Ph)(pentafluorophenolato) 
• 1187043-25-9 zirconocene isobutyl pentafluorophenoxide 
• 1187043-19-1 zirconocene tert-butyl pentafluorophenoxide 

Relevant articles and documents

Replacing chloride by alkoxide: Cp2Zr(H)OR, searching for alternatives to schwartz's reagent

Attempts to synthesize zirconocene hydrido alkoxide species, Cp 2Zr(H)OR, via several synthetic pathways consistently failed to yield the targeted complexes, which seem prone to undergo disproportionation into Cp2ZrH2 and

Synthesis and characterization of new alkoxide and aryloxide derivatives of titanium and zirconium. X-ray molecular structure of

Lithium or sodium alkoxides MOR (R = CH2CH-CMe2; M = Li 1; Na 2; R = C6F5; M = Li 3) were prepared by reaction of the alcohols with n-butyl lithium or sodium metal in hexane.Reaction of a hexane suspension of 3 with SiClMe3 afforded SiMe3(OC6F5) 4, whereas the reaction of 3 equivalents of C6F5OH with AlMe3 in hexane led to Al(OC6F5)3 5.Compounds 1 or 2 react with one equivalent of *Cl2Me> (Cp* = C5Me5) in toluene to give *ClMe(OCH2CH=CMe2)> 6.Complex 6 reacts with AlEtCl2 to give quantitatively *Cl3>.In the presence of water, the hydrolysis of 6 takes place giving the μ-oxo compound *Cl)(μ-O)>3>. *Cl2Me> reacted with an excess of the alcohol C6F5OH to give *(OC6F5)3> 7. reacted with two equivalents of pentafluorophenol in the presence of aniline to give the dialkoxide 8.When the same reaction was carried out in a 1:1 molar ratio, a mixture of 8 and the chloroalkoxide 9 was obtained.A clean reaction takes place when the μ-oxo compound is treated with two equivalents of pentafluorophenol, leading to the isolation of the alkoxo complex 2(μ-O)> 10.The methylalkoxo derivative 11, was obtained by reaction of with one equivalent of 3.Alternative methods can also be followed to synthesize 8 and 11.The crystal and molecular structure of 8 has been determined by X-ray diffraction methods.The most interesting feature of this structure is the disposition of the (C6F5) ring planes, which are located practically on the reflection plane defined by O(1), Zr(1) and O(1)'. Keywords: Titanium; Zirconium; Alkoxides; X-ray diffraction; Group 4; Cyclopentadienyl