512163-89-2

Basic information

• Product Name: [(C₅H₄Me)2Zr(O(t)Bu)][B(C₆F₅)4]
• Synonyms: [(C₅H₄Me)2Zr(O(t)Bu)][B(C₆F₅)4]
• CAS NO: 512163-89-2
• Molecular Weight: 1001.63
• Mol File: 512163-89-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [(C₅H₄Me)2Zr(O(t)Bu)][B(C₆F₅)4](CAS DataBase Reference)
• NIST Chemistry Reference: [(C₅H₄Me)2Zr(O(t)Bu)][B(C₆F₅)4](512163-89-2)
• EPA Substance Registry System: [(C₅H₄Me)2Zr(O(t)Bu)][B(C₆F₅)4](512163-89-2)

Safety Data

• Hazardous Substances Data: 512163-89-2(Hazardous Substances Data)

Upstream product

• 68193-38-4 bis(methylcyclopentadienyl)zirconium dimethyl 
• 75-65-0 tert-butyl alcohol 
• 512164-12-4 (C₅H₄Me)2Zr(O(t)Bu)Me 

Downstream Products

• 900188-20-7 [(C₅H₄CH₃)2Zr(OC(CH₃)3)(CH₃CCC₂H₅)]⁽¹⁺⁾*B(C₆F₅)4^(1-)=[(C₅H₄CH₃)2Zr(OC(CH₃)3)(CH₃CCC₂H₅)]B(C₆F₅)4 
• 512164-02-2 [(C₅H₄CH₃)2Zr(OC(CH₃)3)(HCCC₆H₅)]⁽¹⁺⁾*B(C₆F₅)4^(1-)=[(C₅H₄CH₃)2Zr(OC(CH₃)3)(HCCC₆H₅)]B(C₆F₅)4 
• 900188-22-9 [(C₅H₄CH₃)2Zr(OC(CH₃)3)(C₂H₅CCC₂H₅)]⁽¹⁺⁾*B(C₆F₅)4^(1-)=[(C₅H₄CH₃)2Zr(OC(CH₃)3)(C₂H₅CCC₂H₅)]B(C₆F₅)4 
• 900188-18-3 [(C₅H₄CH₃)2Zr(OC(CH₃)3)(HCCSi(CH₃)3)]⁽¹⁺⁾*B(C₆F₅)4^(1-)=[(C₅H₄CH₃)2Zr(OC(CH₃)3)(HCCSi(CH₃)3)]B(C₆F₅)4 
• 512164-04-4 [(C₅H₄Me)2Zr(O(t)Bu)(allene)][B(C₆F₅)4] 
• 512163-94-9 [(C₅H₄Me)2Zr(O(t)Bu)(propylene)][B(C₆F₅)4] 
• 900534-74-9 [(C₅H₄Me)2Zr(O(t)Bu)(tert-butyl vinyl ether)][B(C₆F₅)4] 
• 900534-80-7 [(C₅H₄Me)2Zr(O(t)Bu)(vinylferrocene)][B(C₆F₅)4] 
• 775322-81-1 [(C₅H₄Me)2Zr(O(t)Bu)(4,4-dimethyl-1-pentene)][B(C₆F₅)4] 
• 512164-07-7 [(C₅H₄Me)2Zr(O(t)Bu)(1-hexene)][B(C₆F₅)4] 
• 900534-69-2 [(C₅H₄Me)2Zr(O(t)Bu)(1,5-hexadiene)][B(C₆F₅)4] 
• 900534-88-5 [(C₅H₄Me)2Zr(O(t)Bu)(cyclopentene)][B(C₆F₅)4] 
• 512164-10-2 [(C₅H₄Me)2Zr(O(t)Bu)(cis-2-butene)][B(C₆F₅)4] 
• 512163-98-3 [(C₅H₄CH₃)2Zr(OC(CH₃)3)(CH₃CCCH₃)]⁽¹⁺⁾*B(C₆F₅)4^(1-)=[(C₅H₄CH₃)2Zr(OC(CH₃)3)(CH₃CCCH₃)]B(C₆F₅)4 

Relevant articles and documents

Nonchelated d0 zirconium-alkoxide-alkene complexes

The reaction of Cp′2Zr(OtBu)Me (Cp′ = C5H4Me) and [Ph3C][B(C6F 5)4] yields the base-free complex [Cp′ 2Zr(OtBu)][B(C6F5)4] (6), which exists as Cp′2Zr(OtBu)(CIR)+ halocarbon adducts in CD2Cl2 or C6D 5Cl solution. Addition of alkenes to 6 in CD2Cl 2 solution at low temperature gives equilibrium mixtures of Cp′2- Zr(OtBu)(alkene)+ (12a-l), 6, and free alkene. The NMR data for 12a-l are consistent with unsymmetrical alkene bonding and polarization of the alkene C=C bond with positive charge buildup at Cint and negative charge buildup at Cterm. These features arise due to the lack of d-π* back-bonding. Equilibrium constants for alkene coordination to 6 in CD2Cl2 at -89 °C, K eq = [12][6]-1[alkene]-1, vary in the order: vinylferrocene (4800 M-1) ? ethylene (7.0) ≈ α-olefins > cis-2-butene (2.2) > trans-2-butene (a CD2Cl2 molecule, and rapid rotation of the alkene around the metal-(alkene centroid) axis.