(3E)-1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-en-2-one CAS 339010-40-1
| CAS No. | 339010-40-1 |
| Molecular Formula | C13H12F3NO2 |
| Molecular Weight | 271.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(3E)-1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-en-2-one (CAS 339010-40-1), molecular formula C13H12F3NO2 and molecular weight 271.24 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (3E)-1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-en-2-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 271.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (3E)-1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-en-2-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H12F3NO2 |
| Molecular Weight | 271.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- tert-Butyl 6-methylbenzofuran-2-carboxylate (CAS 1210226-83-7)
- 2-((Tert-butylthio)methyl)pyrrolidine (CAS 1249382-16-8)
- 6-Methoxy-1,2,3,4-tetrahydro-naphthalene-2-carbaldehyde (CAS 2472-02-8)
- 898773-33-6 (3,4-Dimethylphenyl){2-[(piperidin-1-yl)methyl]phenyl}methanone DTXSID00643597 (CAS 898773-33-6)
- 2-Chloro-N-(4-methoxyphenyl)benzamide (CAS 7508-77-2)
- 2'-Deoxyadenosine 3',5'-Dibenzoate (CAS 20838-22-6)
- Benzyl 2-chloro-2-fluoroacetate (CAS 243659-11-2)
- 4-(Fluoromethyl)pyridine hydrochloride (CAS 139055-60-0)
- [D-His1]-Semaglutide (CAS CATO-C4X-2226127)
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