2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoic acid CAS 861212-95-5
| CAS No. | 861212-95-5 |
| Molecular Formula | C25H21NO5 |
| Molecular Weight | 415.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoic acid (CAS 861212-95-5) is a high-purity analytical reference standard with the molecular formula C25H21NO5 and a molecular weight of 415.44 g/mol.
Based on its molecular formula C25H21NO5, 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoic acid contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 415.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C25H21NO5 |
| Molecular Weight | 415.44 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
Related dimethylphenyl Standards
- N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-2-phenylacetamide (CAS 590396-58-0)
- N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-4-methylbenzamide (CAS 590396-78-4)
- n-(2,4-Dimethylphenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl)thio)acetamide (CAS 332376-60-0)
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- n-(2,6-Dimethylphenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl)thio)acetamide (CAS 337505-62-1)
- N-(3,5-dimethylphenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332376-20-2)
- N-(2,6-dimethylphenyl)-2-(2-((p-tolylthio)methyl)-1H-benzo[d]imidazol-1-yl)acetamide (CAS 339100-16-2)
- 4-(2,3-Dimethylphenyl)-5-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 917750-28-8)
Recommended Standards
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- (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(2,3-dihydrobenzofuran-5-yl)acetic acid (CAS 2349949-70-6)
- 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-5-carboxylic acid (CAS 2137514-33-9)
- n-Cyclobutyl-2-ethoxyaniline (CAS 1247379-19-6)
- Methyl 2-(trifluoromethyl)thiophene-3-carboxylate (CAS 1823360-55-9)
- 6-(2-bromophenyl)-1,3-diazinane-2,4-dione (CAS 1506947-20-1)
- 1-(3-Fluorophenoxy)propan-2-amine (CAS 167087-56-1)
- 4-(Difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridin-2-ol (CAS 1805581-77-4)
- 2-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine (CAS 1256360-49-2)
- 3-((2-Chloropyrimidin-4-yl)amino)propan-1-ol (CAS 55662-19-6)
- Losmiprofen (CAS 74168-08-4)
- N-(3-Aminophenyl)-2-(dimethylamino)acetamide (CAS 562826-95-3)
- Tirzepatide Impurity 35 (CAS CATO-C4X-324035)
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