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

Description

BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is a complex organometallic compound that features a zirconium atom bonded to two cyclopentadienyl rings and two trifluoromethanesulfonate groups. It is soluble in tetrahydrofuran, which is a common solvent in organic synthesis. BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is known for its catalytic properties and is utilized in various chemical reactions.

Uses

Used in Pharmaceutical Industry:
BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is used as a reagent for the synthesis of β-hFSH with Chitobiose units. This application is crucial for the development of pharmaceuticals targeting specific biological pathways and improving treatment options.
Used in Inorganic Chemistry:
In the field of inorganic chemistry, BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT serves as a reactant for polyoxometalate transfer, which is essential for the synthesis of zirconocene polyoxometalates. These compounds have potential applications in catalysis and materials science.
Used as a Transition Metal-based Lewis Acid Catalyst:
BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is employed as a transition metal-based Lewis acid catalyst. This role is vital in various organic reactions, as it helps to facilitate the formation of desired products by accepting electron pairs from other molecules.
Used as a Catalyst in Organic Synthesis:
In organic synthesis, BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is used as a catalyst for Mukaiyama cross-aldol reactions. This application is significant for the formation of new carbon-carbon bonds, which are essential in creating complex organic molecules.
Used in Polymer Chemistry:
BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT is also utilized as a catalyst for Diels-Alder reactions, which are fundamental in polymer chemistry for creating cyclic structures and polymers with specific properties. The use of BIS(CYCLOPENTADIENYL)ZIRCONIUM BIS(TRIFLUOROMETHANESULFONATE)TETRAHYDROFURAN ADDUCT in these reactions contributes to the development of advanced materials with tailored characteristics.

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.