850352-84-0

Basic information

• Product Name: [(C₅H₅)2Zr(N(C(CH₃)3)CH(C₆H₄CF₃)CH₂O)]
• CAS NO: 850352-84-0
• Molecular Weight: 480.685
• Mol File: 850352-84-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(C₅H₅)2Zr(N(C(CH₃)3)CH(C₆H₄CF₃)CH₂O)](CAS DataBase Reference)
• NIST Chemistry Reference: [(C₅H₅)2Zr(N(C(CH₃)3)CH(C₆H₄CF₃)CH₂O)](850352-84-0)
• EPA Substance Registry System: [(C₅H₅)2Zr(N(C(CH₃)3)CH(C₆H₄CF₃)CH₂O)](850352-84-0)

Safety Data

• Hazardous Substances Data: 850352-84-0(Hazardous Substances Data)

Upstream product

• 111991-14-1 2-(4-trifluoromethylphenyl)oxirane 

Relevant articles and documents

Synthetic and mechanistic studies of strained heterocycle opening reactions mediated by zirconium(IV) imido complexes

The reactions of the bis(cyclopentadienyl)(tert-butylimido)zirconium complex (Cp2Zr=N-t-Bu)(THF) (1) with epoxides, aziridines, and episulfides were investigated. Heterocycles without accessible β-hydrogens undergo insertion/protonation of the C-X bond to produce 1,2-amino alcohols (X = O) and 1,2-diamines (X = NR), whereas heterocycles with accessible β-hydrogens undergo elimination/protonation to produce allylic alcohols (X = O) and allylic sulfides (X = S). Mechanistic investigations support a stepwise pathway with zwitterionic intermediates for the first reaction class and a concerted pathway for the second reaction class. Additionally, the feasibility of chirality transfer from the planar-chiral ebthi (ebthi = ethylenebis(tetrahydroindenyl)) ligand was demonstrated with a chiral analogue, (ebthi)Zr=NAr(THF) (Ar = 2,6-dimethylphenyl), 2, through the diastereoselective ring opening of meso epoxides.