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76262-87-8

76262-87-8 Structure

76262-87-8 Structure
IdentificationBack Directory
[Name]

TITANOCENE BIS(TRIFLUOROMETHANESULFONATE)
[CAS]

76262-87-8
[Synonyms]

Titanocene ditriflate
TITANOCENE BIS(TRIFLUOROMETHANESULFONATE)
Bis(cyclopentadienyl)di(triflato)titanium
TITANOCENE BIS(TRIFLUOROMETHANESULPHONATE)
Bis(cyclopentadienyl)bis(trifluoromethanesulfonato)titanium
BIS(CYCLOPENTADIENYL)TITANIUM BIS(TRIFLUOROMETHANESULFONATE)
Bis(trifluoromethanesulfonate)dicyclopentadienyltitanium(IV)
di(cyclopentadienyl)titanium(iv) bis(trifluoromethanesulfonate)
BIS(CYCLOPENTADIENYL)TITANIUM(IV) BIS(TRIFLUOROMETHANESULFONATE)
Titanocene bis(trifluoromethanesulfonate), Di(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate)
[Molecular Formula]

C12H10F6O6S2Ti 10*
[MDL Number]

MFCD00192505
[MOL File]

76262-87-8.mol
[Molecular Weight]

476.19
Chemical PropertiesBack Directory
[solubility ]

sol CH2Cl2, MeNO2; insol benzene, hexane.
[form ]

powder to crystal
[color ]

Orange to Amber to Dark red
[CAS DataBase Reference]

76262-87-8
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

10-23
[HS Code ]

2931.90.6000
Hazard InformationBack Directory
[Uses]

Catalyst for:
  • Transesterification
  • Stereoselective carbonyl-ene cyclization reactions
  • Sakurai reactions
  • Mukaiyama cross-aldol reactions

Reactant for synthesis of heterobimetallic bridging dinitrogen complexes
[Application]

TITANOCENE BIS(TRIFLUOROMETHANESULFONATE) is used as a catalyst for Diels-Alder reaction, Mukaiyama crossed-aldol reaction, and Sakurai reaction.
[Preparation]

TITANOCENE BIS(TRIFLUOROMETHANESULFONATE) is prepared by treatment of a 0.06 M THF solution of Dichlorobis(cyclopentadienyl)titanium with 5.5 equiv of a 0.19 M THF solution of Silver(I) Trifluoromethanesulfonate. After stirring for 15 min the reaction mixture is filtered, the red filtrate is layered with hexane, and the resulting red crystals are collected. Recrystallization from CH2Cl2/pentane or THF/hexane affords Cp2Ti(OSO2CF3)2 (25-30%) as red needles. 
[reaction suitability]

core: titanium
reagent type: catalyst
[storage]

TITANOCENE BIS(TRIFLUOROMETHANESULFONATE) [Cp2Ti(OSO2CF3)2] and Cp2Zr(OSO2CF3)2 can be handled for short periods of time in air, but are best handled and stored in a glove box. Both can be prepared in situ. The pentamethylcyclopentadienyl analog Cp*2Ti(OH2)22+ is air and water stable. Titanium(IV) is reputed to be of low toxicity.
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