Methyl 2-(4-amino-3-benzyl-5-(2-chloroacetyl)-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)acetate CAS 749219-02-1
| CAS No. | 749219-02-1 |
| Molecular Formula | C16H16ClN3O5 |
| Molecular Weight | 365.77 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-(4-amino-3-benzyl-5-(2-chloroacetyl)-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)acetate (CAS 749219-02-1), molecular formula C16H16ClN3O5 and molecular weight 365.77 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 2-(4-amino-3-benzyl-5-(2-chloroacetyl)-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl)acetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 365.77 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C16H16ClN3O5 |
| Molecular Weight | 365.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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Recommended Standards
- 7-Chloro-2-methyl-5-oxo-N-(pyridin-4-yl)-5H-chromeno[2,3-b]pyridine-3-carboxamide (CAS 343375-49-5)
- Voriconazole Impurity 56 (CAS CATO-C4X-136656)
- 6-(2-Chlorophenyl)-4-imino-3-phenyl-1H,2H,3H,4H,7H,8H-[1,3]diazino[5,4-d]pyrimidine-2,8-dione (CAS 866019-01-4)
- Tert-butyl 2-(2-(4-chlorophenyl)-1-((2,2,2-trifluoroethyl)imino)ethyl)hydrazine-1-carboxylate (CAS 1053658-11-9)
- 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-phenylpropan-1-one (CAS 1088215-62-6)
- 3-(5-Bromo-2-fluorophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 1259997-50-6)
- 6-(Trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CAS 1821384-76-2)
- Tert-butyl 3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate (CAS 1423162-07-5)
- 4-Bromo-2-(trifluoromethyl)pyridine-6-acetic acid (CAS 1393539-82-6)
- Tert-butyl 4-(N-cyclopropylsulfamoyl)piperidine-1-carboxylate (CAS 2387223-59-6)
- N-(5-Cyclopropoxy-2-formylphenyl)methanesulfonamide (CAS 1243384-87-3)
- Dimethyl cyclohex-4-ene-1,2-dicarboxylate (CAS 7500-55-2)
- 2-[(1-phenyl-1h-pyrazol-4-yl)(2-phenylhydrazin-1-ylidene)methyl]phenol (CAS 74990-94-6)
- Semaglutide Impurity 191 (CAS CATO-C4X-2226191)
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