Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium
Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium (CAS: 132068-98-5) is a chiral titanium complex with the empirical formula C36H33ClO4Ti and a molecular weight of 612.96 g/mol. This compound is primarily employed in asymmetric synthesis and allylation reactions, serving as a valuable chiral catalyst. Its specific stereochemistry and titanium centre enable high enantioselectivity in various chemical transformations, making it a key reagent for complex molecule synthesis.
- IUPAC
- (4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium,(R,R)-Duthaler-Hafner reagent,[(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium
- Synonyms
- (4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium(R,R)-Duthaler-Hafner reagent[(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium
![Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium (C36H33ClO4Ti) — chemical structure, CAS 132068-98-5; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F132068-98-5.png&w=3840&q=75)
Asymmetric Allylation Reactions
This titanium complex is widely recognised for its efficacy in catalysing asymmetric allylation reactions. It facilitates the stereoselective addition of allyl groups to carbonyl compounds, yielding chiral homoallylic alcohols with high enantiomeric excess.
Chiral Synthesis
As a privileged chiral ligand complex, it is instrumental in the synthesis of enantiomerically pure compounds. Its application is crucial in producing intermediates for pharmaceuticals and other fine chemicals where specific stereoisomers are required.
Catalyst in Organic Synthesis
The compound functions as a sophisticated catalyst in various organic transformations, offering precise control over stereochemistry. Its utility extends to complex molecule construction, leveraging its unique structural features.
| Molecular weight | 612.96 |
|---|---|
| Empirical formula | C36H33ClO4Ti |
| Assay | 97% |
| Optical activity | [α]20/D -246°, c = 1 in chloroform |
| Melting point | 209-213 °C(lit.) |
Hazard statements
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |
|---|---|
| Transport (UN / ADR) | UN 3261 8 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
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 Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium used for?
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This compound is primarily used as a chiral catalyst in asymmetric synthesis, particularly for allylation reactions, enabling the stereoselective formation of chiral molecules.
What is the CAS number and formula for this titanium complex?
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The CAS number is 132068-98-5, and the empirical formula is C36H33ClO4Ti.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product with an assay of 97%. TSS does not represent this product as USP, BP, EP, or any other pharmacopoeial grade.
What are the primary safety hazards associated with this chemical?
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This compound is classified as Danger, with hazard statement H314, indicating it causes severe skin burns and eye damage. Appropriate personal protective equipment, including eyeshields, face shields, and chemical-resistant gloves, must be used.
How is this chemical packed, shipped, and exported?
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This chemical is packed and shipped in accordance with UN 3261 (Corrosive liquid, acidic, organic, n.o.s.) regulations, classified as PGII. TSS is a specialist global supplier and exporter of fine chemicals.
How can I request a sample or quote?
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Please contact our sales team directly via the website to request a sample or obtain a quotation for this product.
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