Methyl 2-phenylbenzo[d]oxazole-5-carboxylate CAS 21095-63-6
| CAS No. | 21095-63-6 |
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-phenylbenzo[d]oxazole-5-carboxylate (CAS 21095-63-6), molecular formula C15H11NO3 and molecular weight 253.25 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-phenylbenzo[d]oxazole-5-carboxylate (C15H11NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 253.25 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H11NO3 |
| Molecular Weight | 253.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Methyl 3-(benzo[d]oxazol-2-yl)benzoate (CAS 20000-55-9)
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- 4-Hydroxy-1,2-dimethyl-1,2,4-triazolidine-3,5-dione (CAS 321372-26-3)
- (3S)-N-methyltetrahydropyran-3-amine;hydrochloride (CAS 2772476-22-7)
- 3-(3-(2,5-Difluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CAS 858118-67-9)
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- 1-Bromo-4-(1,1-dimethoxyethyl)benzene (CAS 53578-00-0)
- Exenatide Acetate (CAS 141732-76-5)
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