1-Benzyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione CAS 686267-35-6
| CAS No. | 686267-35-6 |
| Molecular Formula | C14H11N3O3S |
| Molecular Weight | 301.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Benzyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione (C14H11N3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 1-Benzyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione (CAS 686267-35-6), a certified reference material (molecular formula C14H11N3O3S, MW 301.32 g/mol) for analytical method development and quality control.
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 | C14H11N3O3S |
| Molecular Weight | 301.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzyl Standards
- N1-(2-(Methylthio)phenyl)-N2-(pyridin-3-ylmethyl)oxalamide (CAS 920368-18-9)
- 2-(Methylthio)benzyl (2,6-dimethylphenyl)carbamate (CAS 338968-04-0)
- Ethyl 2-((4-(methylthio)phenyl)amino)-2-phenylacetate (CAS 200404-08-6)
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- (2-(Methylthio)nicotinoyl)methionine (CAS 175201-70-4)
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Recommended Standards
- 1-(Phenylsulfonyl)-1H-indole-3-carboxylic acid (CAS 278593-17-2)
- 2-((2,3-Dihydrobenzo[b][1,4]dioxine)-6-sulfonamido)butanoic acid (CAS 301301-44-0)
- 1-(Phenylsulfonyl)-1H-indole-2-carboxylic acid (CAS 40899-93-2)
- 2-((2S,3S)-3-(tert-Butyl)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)pyridine (CAS 2565792-52-9)
- Ethyl 4-bromo-3-(ethoxymethyl)benzoate (CAS 948349-66-4)
- N-(2-Bromo-4-methylphenyl)-2-butylsulfanylbenzamide (CAS 88312-84-9)
- 1-(2-Methoxyphenyl)-3-methylbutan-1-one (CAS 857803-59-9)
- 1-(2-Oxopropyl)piperidine-4-carboxylic acid (CAS 1397293-42-3)
- Tert-butyl 2-(4-bromophenyl)-4-oxo-1,3,7-triazaspiro[4.4]Non-1-ene-7-carboxylate (CAS 2306269-89-4)
- 4-Amino-6-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol (CAS 1805213-65-3)
- 5-Fluoro-7-methyl-3,4-dihydro-2h-1-benzopyran-4-one (CAS 1273598-40-5)
- (2R)-1-Boc-octahydroindole-2-carboxylic Acid (CAS 1217525-04-6)
- Methyl 2-acetyl-5-phenylpentanoate (CAS 97228-23-4)
- Peptide Impurity 28 (CAS 1350456-64-2)
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