(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol
(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol (CAS: 60646-30-2) is a chiral alcohol with the molecular formula C16H11F3O and a molecular weight of 276.25 g/mol. This enantiomerically pure compound serves as a valuable reagent in asymmetric synthesis. It is particularly employed for the NMR spectral determination of optical purity and absolute configuration in various organic molecules, including sulfoxides, lactones, amines, and allenes.
- IUPAC
- (S)-(+)-α-(Trifluoromethyl)anthracene-9-methanol,(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
- Synonyms
- 60646-30-2(S)-(+)-α-(Trifluoromethyl)anthracene-9-methanol(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
Chiral Analysis via NMR Spectroscopy
(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol is a key reagent for determining the enantiomeric excess (optical purity) of chiral compounds using Nuclear Magnetic Resonance (NMR) spectroscopy. Its unique chiral environment allows for the differentiation of diastereomeric species formed upon interaction with the analyte.
Absolute Configuration Determination
In addition to optical purity, this compound has been utilised to establish the absolute configuration of various chiral molecules. By analysing the NMR spectra of adducts or complexes formed with the analyte, researchers can elucidate the three-dimensional structure.
Reagent for Chiral Resolution
As a chiral resolving agent, it can be employed in the separation of racemic mixtures. Its application in this area aids in obtaining enantiomerically pure substances essential for pharmaceutical and fine chemical synthesis.
Building Block in Organic Synthesis
The molecule acts as a chiral building block in complex organic synthesis, allowing for the introduction of specific stereochemistry into target molecules. Its anthryl and trifluoroethanol moieties offer versatile reaction sites for further functionalisation.
| Molecular weight | 276.25 |
|---|---|
| Empirical formula | C16H11F3O |
| Assay | ≥98% |
| Optical activity | [α]25/D +29°, c = 6.3 in chloroform |
| Application | These enantiomerically pure (+)- and (−)-2,2,2-trifluoro-1-(9-anthryl)ethanols have been used for the NMR spectral determination of optical purity (and in some cases, absolute configuration) of a wide variety of sulfoxides,1 lactones,2,3 amines,4 sulfinate esters,5 oxaziridines6 and allenes.7 |
| Melting point | 132-135 °C(lit.) |
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 (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol used for?
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This compound is primarily used as a chiral derivatizing agent for the NMR spectral determination of optical purity and absolute configuration of various organic compounds such as sulfoxides, lactones, amines, and allenes. It also functions as a chiral building block and resolving agent in asymmetric synthesis.
What is the CAS number and chemical formula for (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol?
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The CAS number is 60646-30-2 and the empirical formula (Hill notation) is C16H11F3O.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol with an assay of ≥98%. This product is not intended for pharmaceutical, food, or therapeutic use and is not supplied as USP, BP, or EP grade.
What are the safety and handling recommendations for this chemical?
+
This compound is classified as a Warning. It causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Appropriate personal protective equipment, including a dust mask (type N95), eyeshields, and gloves, should be used. Handle in a well-ventilated area.
Is this chemical available for export?
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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, including (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol. Please contact us for export availability and shipping details.
How can I request a sample or quote?
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To request a sample or obtain a quotation for (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol, please use the contact form on our website or contact our sales department directly.
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