287110-66-1

Basic information

• Product Name: [Cp₂Zr(OEt₂)(OEt)][HB(C₆F₅)3]
• Synonyms: [Cp₂Zr(OEt₂)(OEt)][HB(C₆F₅)3]
• CAS NO: 287110-66-1
• Molecular Weight: 853.59
• Mol File: 287110-66-1.mol

Chemical Properties

• CAS DataBase Reference: [Cp₂Zr(OEt₂)(OEt)][HB(C₆F₅)3](CAS DataBase Reference)
• NIST Chemistry Reference: [Cp₂Zr(OEt₂)(OEt)][HB(C₆F₅)3](287110-66-1)
• EPA Substance Registry System: [Cp₂Zr(OEt₂)(OEt)][HB(C₆F₅)3](287110-66-1)

Safety Data

• Hazardous Substances Data: 287110-66-1(Hazardous Substances Data)

Upstream product

• 60-29-7 diethyl ether 
• 1109-15-5 tris(pentafluorophenyl)borate 
• 847056-82-0 Cp2ZrH((μ-H)2BHPh) 
• 504397-47-1 Cp2Zr((μ-H)2BHCH3)2 

Relevant articles and documents

Effect of solvent on reactions of Cp2Zr{(μ-H)2BHR}2 and Cp2ZrH{(μ-H)2BHR} (R = CH3, Ph) with B(C6F5)3

The effect that a solvent has on reactions of Cp2Zr{(μ-H)2BHR}2 and Cp2ZrH{(μ-H)2BHR} (R = CH3, Ph) with B(C6F5)3 has been studied. From the reaction in benzene the metathesis product Cp2Zr{(μ-H)2B(C6F5)2}2, 2, was isolated. In the case of diethyl ether, different hydride abstraction products, including [Cp2Zr(OEt2){(μ-H)2BHPh}][HB(C6F5)3], 3, [Cp2Zr(OEt2){(μ-H)2BHCH3}][HB(C6F5)3], 4, [Cp2Zr(OEt2){(μ-H)2BH2}][HB(C6F5)3], 5, and [Cp2Zr(OEt)(OEt2)][HB(C6F5)3], 6, were isolated depending on the starting zirconocene complex. The diethyl ether molecules of 3-6 are weakly coordinated to Zr and displaced in THF solution. Isolation of 3 and 4 is attributed to their fast precipitation from the reaction mixture, which prevented further reactions from occurring. In addition to the hydride abstraction, a hydride metathesis was also involved in the formation of 5. Time-elapsed 11B NMR studies indicate that 3 and 4 are the intermediates on the pathway to 5 and 6. The molecular structures of 2-6 were determined by single-crystal X-ray diffraction.