Methyl 5-bromo-2-(tert-butyl)pyrimidine-4-carboxylate CAS 746671-54-5
| CAS No. | 746671-54-5 |
| Molecular Formula | C10H13BrN2O2 |
| Molecular Weight | 273.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 273.13 g/mol gives Methyl 5-bromo-2-(tert-butyl)pyrimidine-4-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-bromo-2-(tert-butyl)pyrimidine-4-carboxylate (CAS 746671-54-5), molecular formula C10H13BrN2O2 and molecular weight 273.13 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 5-bromo-2-(tert-butyl)pyrimidine-4-carboxylate (C10H13BrN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 273.13 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C10H13BrN2O2 |
| Molecular Weight | 273.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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