2-Oxo-4-phenyl-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carbonitrile CAS 478080-29-4
| CAS No. | 478080-29-4 |
| Molecular Formula | C20H13F3N2O |
| Molecular Weight | 354.33 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.
2-Oxo-4-phenyl-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carbonitrile (CAS 478080-29-4) is a high-purity analytical reference standard with the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-Oxo-4-phenyl-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 354.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C20H13F3N2O |
| Molecular Weight | 354.33 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2-[({[2-(difluoromethoxy)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylic acid (CAS 721406-46-8)
- 2-Oxo-5-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 338954-58-8)
- 2-((2,6-Dimethoxyphenyl)sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CAS 62617-15-6)
- 2-Oxo-6-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 339109-03-4)
- tetranor-PGEM-d6 (CAS 1240398-16-6)
- 8,9-Dimethoxy-2-methyl-5-((2,4,6-trimethylbenzyl)thio)-[1,2,4]triazolo[1,5-c]quinazoline (CAS 860611-29-6)
- tert-butyl 3-hydroxy-3-(prop-2-en-1-yl)piperidine-1-carboxylate (CAS 1331825-48-9)
- 2-Methoxymethoxy-4-(trifluoromethyl)benzoic acid (CAS 368422-29-1)
- 1-(Furan-2-ylmethyl)piperidine-3-carboxylic acid (CAS 883542-33-4)
- N-[5-(3-Chlorophenyl)-2,7-dioxo-1,2,4,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CAS 1257440-43-9)
- 4-(Difluoromethyl)-2-fluoro-6-iodo-3-methylpyridine (CAS 1805480-76-5)
- 4-Chloro-5-(trifluoromethyl)nicotinaldehyde (CAS 1256813-15-6)
- 2-(iodomethyl)-2-methyloxetane (CAS 121137-98-2)
- Tau Peptide (74-102) (Exon 3/Insert 2 Domain) trifluoroacetate salt (CAS 1322695-34-0)
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