Methyl 4-{5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate CAS 338977-49-4
| CAS No. | 338977-49-4 |
| Molecular Formula | C21H16Cl2N2O4 |
| Molecular Weight | 431.27 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 4-{5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate (CAS 338977-49-4), molecular formula C21H16Cl2N2O4 and molecular weight 431.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 4-{5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate (C21H16Cl2N2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C21H16Cl2N2O4 |
| Molecular Weight | 431.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Methyl 2-{5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate (CAS 338977-31-4)
- Methyl 2-{5-chloro-1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate (CAS 338977-29-0)
- 4-Chloro-N-[2-(6-chloro-4-trifluoromethyl-pyridin-2-ylsulfanyl)-ethyl]-benzenesulfonamide (CAS 1311280-25-7)
- 3-[(1E)-{[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]amino}methylidene]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]thiourea (CAS 477885-60-2)
- 4-Chloro-5-(4-(3-chlorophenyl)piperazin-1-yl)-2-(4-methoxyphenyl)pyridazin-3(2H)-one (CAS 477867-46-2)
- 3-Benzyl-1-(3-chloro-4-fluorophenyl)-1-(2-hydroxy-3-methoxybenzyl)thiourea (CAS 306730-50-7)
- 1-[(2-Chloro-6-fluorophenyl)methoxy]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4,5-trione (CAS 303986-58-5)
- 3-(4-Chloro-3-(trifluoromethyl)phenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 723333-49-1)
Recommended Standards
- Axitinib Impurity 20 (CAS CATO-C4X-107120)
- Methyl 2-{1-[(2,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate (CAS 338977-61-0)
- Methyl 6-{bis[(tert-butoxy)carbonyl]amino}-5-bromopyridine-3-carboxylate (CAS 1393845-63-0)
- Methyl 2-(1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamido)benzoate (CAS 242797-49-5)
- Trimethylacetyl Chloride (CAS 3282-30-2)
- (3-Fluoro-5-morpholinophenyl)boronic acid (CAS 1217500-95-2)
- 3-Bromo-2-chloro-4-nitropyridine (CAS 1379301-97-9)
- 2-[5-Fluoro-2-(pyridin-3-yl)-1h-indol-3-yl]ethan-1-amine hydrochloride (CAS 1049787-77-0)
- Cinchophen Impurity 1 (CAS 64525-01-5)
- 5-Aminobenzo[b]thiophene Hydrochloride (CAS 96803-46-2)
- 4-(1H-pyrazol-5-ylmethyl)piperidine (CAS 1936719-82-2)
- (S)-2-Bromobutane-1,4-diol (CAS 105601-94-3)
- Fmoc-L-allo-threoninol (CAS 252049-03-9)
- Liraglutide Impurity 10 TFA Salt (CAS CATO-C4X-199210)
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