di-tert-Butyl 2-(methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine-5,8(9H)-dicarboxylate CAS 1251017-28-3
| CAS No. | 1251017-28-3 |
| Molecular Formula | C18H28N4O4S |
| Molecular Weight | 396.50 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.
di-tert-Butyl 2-(methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine-5,8(9H)-dicarboxylate (CAS 1251017-28-3) is a high-purity analytical reference standard with the molecular formula C18H28N4O4S and a molecular weight of 396.50 g/mol.
di-tert-Butyl 2-(methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine-5,8(9H)-dicarboxylate (C18H28N4O4S) contains a flavonoid core, 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 | C18H28N4O4S |
| Molecular Weight | 396.50 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.) | 1990 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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