N-[(4-Fluorophenyl)methyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)benzamide CAS 861212-82-0
| CAS No. | 861212-82-0 |
| Molecular Formula | C23H17FN2O4 |
| Molecular Weight | 404.39 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.
N-[(4-Fluorophenyl)methyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)benzamide (CAS 861212-82-0) is a high-purity analytical reference standard with the molecular formula C23H17FN2O4 and a molecular weight of 404.39 g/mol.
The molecular framework of N-[(4-Fluorophenyl)methyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)benzamide (C23H17FN2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C23H17FN2O4 |
| Molecular Weight | 404.39 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related N Standards
- 7-(3-Fluorophenyl)-3-(3-(trifluoromethyl)benzyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1105232-83-4)
- 1-Benzyl-3'-(4-fluorophenyl)spiro[indoline-3,2'-thiazolidine]-2,4'-dione (CAS 860784-61-8)
- 3-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)-6-(thiophen-2-yl)pyridazine (CAS 946238-92-2)
- 4-(4-Fluorophenyl)-5-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 917749-94-1)
- (S)-4-(5-(4-Fluorophenyl)-2-(methylthio)-1H-imidazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine (CAS 581098-48-8)
- N-(2-{[(4-fluorophenyl)methyl]sulfanyl}-2-methylpropyl)naphthalene-2-sulfonamide (CAS 339104-50-6)
- 4-(4-Fluorophenyl)-2-((pyridin-4-ylmethyl)thio)-6-(thiophen-2-yl)nicotinonitrile (CAS 316361-28-1)
- (3-((4-Fluorophenyl)sulfonyl)azetidin-1-yl)(4-phenyltetrahydro-2H-pyran-4-yl)methanone (CAS 1797839-04-3)
Recommended Standards
- 2-(9,9-Dibutyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 785051-52-7)
- α-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol (CAS 871550-18-4)
- (2e)-3-[4-({4-[(carboxymethyl)carbamoyl]phenyl}sulfamoyl)phenyl]prop-2-enoic acid (CAS 851207-45-9)
- N-Nitroso Gatifloxacin (CAS CATO-C4X-125321)
- 2-(2,3-Difluorobenzoyl)-5-(1,3-dioxolan-2-yl)thiophene (CAS 898778-73-9)
- 1-(3-Chloropyridin-2-yl)propan-2-one (CAS 1284045-45-9)
- 2-(5-But-3-Yn-2-Yloxy-4-Chloro-2-Fluoro-Phenyl)-4,5,6,7-Tetrahydroisoindole-1,3-Dione (CAS 84478-52-4)
- 5-(3-fluorophenyl)-1,3-Cyclohexanedione (CAS 762243-25-4)
- 1-(5-Aminopyridin-3-yl)-3-methylpyrrolidin-3-ol (CAS 1695826-44-8)
- 5-Chloro-6-fluoro-1H-indole-3-carboxylic acid (CAS 1404531-97-0)
- Yttrium(III) bis(trifluoromethanesulfonyl)imide (CAS 189114-86-1)
- 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 1218791-11-7)
- 3-Phenyloxirane-2-carboxylic acid (CAS 5694-02-0)
- Semaglutide impurity 94 (CAS CATO-C4X-222694)
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