Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetate CAS 2004497-81-6
| CAS No. | 2004497-81-6 |
| Molecular Formula | C8H7F3N2O3 |
| Molecular Weight | 236.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 236.15 g/mol gives Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetate (CAS 2004497-81-6), a certified reference material (molecular formula C8H7F3N2O3, MW 236.15 g/mol) for analytical method development and quality control.
Structurally, Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetate (C8H7F3N2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine 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 236.15 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C8H7F3N2O3 |
| Molecular Weight | 236.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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 methanol, ethanol, DMSO |
| 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.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Ethyl 4-Hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 343-67-9)
- Methyl 5-methoxy-3-(trifluoromethyl)pyrazine-2-carboxylate (CAS 2770349-32-9)
- Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-4-carboxylate (CAS 306960-79-2)
- 5463-16-1 AR-1I8918 ethyl 3-phenyl-2-(phenylsulfanyl)propanoate (CAS 5463-16-1)
- 4-Ethynylbenzenethiol (CAS 1126530-42-4)
- (S)-4-(tert-butoxy)-2-methyl-4-oxobutanoate (CAS 182007-75-6)
- 2-(2-(Bromomethyl)pyridin-3-yl)isoindoline-1,3-dione (CAS 954240-58-5)
- 2-(3-Cyclopropyl-1-methyl-1h-pyrazol-5-yl)ethan-1-amine (CAS 1328640-49-8)
- 2,4,6-Trimethyl-3-nitrobenzoic acid (CAS 106567-41-3)
- 1-(4-Chloro-2-nitrophenyl)-4-piperidinol (CAS 1292189-51-5)
- Methyl 1-(1-benzyl-1H-pyrazol-4-yl)-1H-indole-3-carboxylate (CAS 2007920-31-0)
- 4-Amino-N,1-dimethyl-N-phenyl-1H-pyrazole-3-carboxamide (CAS 1489360-97-5)
- Oseltamivir Impurity 147 (CAS 28547-24-2)
- Liraglutide Impurity 14 TFA Salt (CAS CATO-C4X-199214)
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