Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate)
Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate), commonly known as titanocene ditriflate (CAS 76262-87-8), is an organotitanium Lewis-acid complex with the molecular formula C12H10F6O6S2Ti and a molar mass of 476.19 g/mol. The two labile triflate ligands make it a strong, oxophilic Lewis acid widely used to catalyse transesterification, Mukaiyama cross-aldol, Sakurai and stereoselective carbonyl-ene cyclisation reactions. Tech Serve Solutions supplies it as a research-grade reagent for synthetic and organometallic chemistry.
- IUPAC
- Bis(cyclopentadienyl)di(triflato)titanium,Di(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate),Titanocene bis(trifluoromethanesulfonate),Titanocene ditriflate
- Synonyms
- Titanocene ditriflateTitanocene bis(trifluoromethanesulfonate)Bis(cyclopentadienyl)di(triflato)titaniumDi(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate)Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate)Cp2Ti(OTf)2
Lewis-acid catalysis in C-C bond formation
The complex serves as a Lewis-acid catalyst for Mukaiyama cross-aldol and Sakurai (Hosomi-Sakurai) allylation reactions. Its electrophilic titanium centre activates carbonyl substrates toward nucleophilic addition.
Stereoselective carbonyl-ene cyclisation
Titanocene ditriflate catalyses stereoselective intramolecular carbonyl-ene cyclisation reactions, where it is used to construct ring systems with defined stereochemistry under mild conditions.
Transesterification catalyst
It functions as a catalyst for transesterification, promoting the exchange of ester groups between an ester and an alcohol. This makes it useful in ester-modification and related synthetic transformations.
Organometallic synthesis reagent
The compound acts as a reactant in the preparation of heterobimetallic bridging dinitrogen complexes. The two reactive triflate ligands provide accessible coordination sites for assembling metal-metal frameworks.
Research and method development
As a well-defined titanium(IV) Lewis acid, it is employed in academic and industrial research laboratories for catalyst screening, mechanistic studies and the development of new synthetic methodologies.
| Molecular weight | 476.19 |
|---|---|
| Empirical formula | C12H10F6O6S2Ti |
| Assay | 98% |
| Application | Catalyst for:• Transesterification1• Stereoselective carbonyl-ene cyclization reactions2• Sakurai reactions3• Mukaiyama cross-aldol reactions4Reactant for synthesis of heterobimetallic bridging dinitrogen complexes5 |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate) used for?
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It is used principally as a titanium(IV) Lewis-acid catalyst in organic synthesis, including transesterification, Mukaiyama cross-aldol reactions, Sakurai allylations and stereoselective carbonyl-ene cyclisations. It also serves as a reactant in the preparation of heterobimetallic bridging dinitrogen complexes.
What is the CAS number and molecular formula of Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate)?
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Its CAS number is 76262-87-8 and its molecular formula is C12H10F6O6S2Ti (Hill notation), with a molecular weight of 476.19 g/mol. The MDL number is MFCD00192505. It is also widely known as titanocene ditriflate.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this material as a research/reagent grade with a typical assay of 98%. It is offered for laboratory and synthetic use; we do not represent it as USP, BP or EP pharmacopoeial grade. A certificate of analysis can accompany each consignment on request.
What are the safety and handling precautions for this compound?
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It is classified under GHS with the signal word Warning (pictogram GHS07). The hazard statements are H315 (causes skin irritation), H319 (causes serious eye irritation) and H335 (may cause respiratory irritation). Avoid breathing dust and wear suitable gloves and eye protection (P261, P305+P351+P338). It carries water-hazard class WGK 3, so prevent release to drains or the environment.
How is Bis(cyclopentadienyl)titanium(IV) bis(trifluoromethanesulfonate) packed, shipped and exported?
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It is packed in tightly sealed containers appropriate to the order quantity and labelled in line with GHS requirements. As an exporter since 1998, Tech Serve Solutions arranges compliant documentation and global despatch; packaging and transport are handled according to the applicable dangerous-goods and destination-country regulations.
How do I request a sample or quote?
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Contact Tech Serve Solutions with your required quantity, purity and delivery destination, and our team will respond with availability, lead time and a formal quotation. Sample requests for evaluation can be accommodated where appropriate.
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