Chlorocyclopentadienyl[(4S,5S)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium
Chlorocyclopentadienyl[(4S,5S)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium (CAS 140462-73-3) is a chiral titanium complex with the empirical formula C36H33ClO4Ti and a molecular weight of 612.96 g/mol. This compound serves as a valuable reagent in asymmetric synthesis, particularly for enantioselective allylation reactions. Its specific structure enables precise control over stereochemistry in chemical transformations, making it a key component in the synthesis of complex chiral molecules.
- IUPAC
- (4S,5S)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium,(S,S)-Duthaler-Hafner reagent,[(4S,5S)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium
- Synonyms
- C36H33ClO4Ti(S,S)-Duthaler-Hafner reagent(4S,5S)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium[(4S,5S)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitaniumα,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium
![Chlorocyclopentadienyl[(4S,5S)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium (C36H33ClO4Ti) — chemical structure, CAS 140462-73-3; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F140462-73-3.png&w=3840&q=75)
Asymmetric Allylation
This titanium complex is widely employed as a catalyst or reagent in enantioselective allylation reactions. It facilitates the stereoselective addition of allyl groups to aldehydes and ketones, forming chiral homoallylic alcohols with high enantiomeric excess.
Chiral Synthesis
As a chiral catalyst, it plays a crucial role in constructing molecules with defined stereocenters. Its application is vital in the synthesis of pharmaceutical intermediates and complex organic compounds where stereochemical purity is paramount.
Ligand Chemistry
The compound features a tetraphenyl-substituted dioxolane dimethanolato ligand, which is known for its effectiveness in coordinating with metals like titanium. This ligand contributes to the catalyst's stability and stereodirecting ability.
| 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[(4S,5S)-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 or reagent in asymmetric synthesis, particularly for enantioselective allylation reactions, enabling the stereoselective formation of carbon-carbon bonds.
What are the CAS number and formula for this titanium complex?
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The CAS number is 140462-73-3, and its empirical formula is C36H33ClO4Ti.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this chemical at an assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
What are the safety considerations when handling this chemical?
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This compound is classified as Danger (GHS05) and causes severe skin burns and eye damage (H314). Appropriate personal protective equipment, including eyeshields, face shields, gloves, and suitable respiratory protection, must be worn during handling. Refer to the Safety Data Sheet for comprehensive guidance.
Is this chemical available for export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals and reagents, including this titanium complex.
How can I request a quote or sample?
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To request a quote or a sample, please contact our sales department through the website or by phone, providing the product name and CAS number.
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