89672-77-5

Basic information

• Product Name: BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT
• Synonyms: BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT;ZIRCONOCENE BIS(TRIFLATE)TETRAHYDROFURAN ADDUCT;ZIRCONOCENE BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT;Zirconocene Bis(trifluoromethanesulfonate);zirconocene bis(trifluoromethanesul-fonate) thf complex;Bis(cyclopentadienyl)zirconium bis(trifluoromethanesulfonate) tetrahydrofuran co;BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRI-F LUOROMETHANESULFONATE), THF ADD, 97%;bis(cyclopentadienyl)zirconium bis(trifluoromethanesulfonate)
• CAS NO: 89672-77-5
• Molecular Formula: C16H18F6O7S2Zr 10*
• Molecular Weight: 591.65
• Product Categories: Catalysts for Organic Synthesis;Classes of Metal Compounds;Homogeneous Catalysts;Metallocenes;Synthetic Organic Chemistry;Titanium Alkoxides, etc. (Homogeneous Catalysts);Titanocene, etc.;Transition Metal Compounds;Zr (Zirconium) Compounds
• Mol File: 89672-77-5.mol
• Article Data: 1

Chemical Properties

• Flash Point: 175 °F
• Appearance: /
• CAS DataBase Reference: BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT(CAS DataBase Reference)
• NIST Chemistry Reference: BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT(89672-77-5)
• EPA Substance Registry System: BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT(89672-77-5)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1325 4.1/PG 3
• WGK Germany: 3
• F: 1-10
• HazardClass: 4.1
• PackingGroup: III
• Hazardous Substances Data: 89672-77-5(Hazardous Substances Data)

Usage

Uses

Reagent for synthesis of β-hFSH with Chitobiose unitsReactant for polyoxometalate transfer for synthesis of zirconocene polyoxometalateTransition metal based Lewis acid catalystCatalyst for: Mukaiyama cross-aldol reactionsDiels-Alder reactions

InChI:InChI=1/2C5H5.C4H8O.2CHF3O3S.Zr/c3*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1-5H;1-4H2;2*(H,5,6,7);/q;;;;;+2/p-2

Upstream product

• 109-99-9 tetrahydrofuran 
• 1291-32-3 zirconocene dichloride 
• 2923-28-6 silver trifluoromethanesulfonate 

Relevant articles and documents

Synthesis, molecular structure, and stability of a zirconocene derivative with α-Keggin mono-aluminum-substituted polyoxotungstate

The synthesis and crystal structure of a zirconocene derivative with α-Keggin mono-aluminum-substituted polyoxotungstate, [α-PW 11Al(OH)O39ZrCp2]26- (Cp = C5H5-) (1), which was obtained by the reaction of α-Keggin mono-aluminum-substituted polyoxotungstate with a biscyclopentadienylzirconium(iv) complex, is described herein. Analytically pure, homogeneous, yellow crystals of the tetra-n-butylammonium salt of polyoxoanion 1, [(n-C4H9)4N] 6[α-PW11Al(OH)O39ZrCp2] 2 (TBA-1), were obtained from the ca. 1:1 reaction of [(n-C 4H9)4N]4[α-PW 11{Al(OH2)}O39] with Cp2Zr(OTf) 2·THF (OTf = O3SCF3-) in acetonitrile solution under an argon atmosphere, followed by precipitation from water and crystallization from acetonitrile. TBA-1 was characterized based on X-ray structure analysis, elemental analysis, thermogravimetric/differential thermal analysis (TG/DTA), Fourier transform infrared (FTIR), and solution (31P, 27Al, 19F, 1H, and 13C) nuclear magnetic resonance (NMR) spectroscopy. Single-crystal X-ray structure analysis revealed that the two {PW11AlO40} units are bridged by two bent sandwich Cp2Zr 2+ fragments with C2 symmetry. Each zirconium center was bound to a terminal oxygen atom of the aluminum and tungsten sites and an edge-sharing oxygen atom at the Al-O-W linkage. Further, the stability towards water was investigated by NMR (31P, 1H, and 13C) and FTIR spectroscopy. The η5- cyclopentadienylzirconium fragments were not eliminated from the surface of [α-PW11{Al(OH2)}O39]4- even after 24 h exposure to 50 equiv. of water. The Royal Society of Chemistry 2013.