Methyl 2-((5-ethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)butanoate CAS 922128-57-2
| CAS No. | 922128-57-2 |
| Molecular Formula | C12H16N4O3S |
| Molecular Weight | 296.35 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.
Methyl 2-((5-ethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)butanoate (CAS 922128-57-2), molecular formula C12H16N4O3S and molecular weight 296.35 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 2-((5-ethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)butanoate (C12H16N4O3S) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H16N4O3S |
| Molecular Weight | 296.35 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- Methyl 2-((5,6-dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)butanoate (CAS 891133-58-7)
- N-((1H-Benzo[d]imidazol-2-yl)carbamothioyl)benzamide (CAS 83584-34-3)
- Methyl 2-((5-(2-(1H-1,2,4-triazol-1-yl)propan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 478080-10-3)
- N-((1H-indazol-3-yl)carbamothioyl)benzamide (CAS 691406-10-7)
- N-phenyl-l-phenylalanine (CAS 149069-75-0)
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