3-(Benzyloxy)-1-[(4-fluorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one CAS 338965-56-3
| CAS No. | 338965-56-3 |
| Molecular Formula | C20H18FNO2 |
| Molecular Weight | 323.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Benzyloxy)-1-[(4-fluorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(Benzyloxy)-1-[(4-fluorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one (CAS 338965-56-3), molecular formula C20H18FNO2 and molecular weight 323.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(Benzyloxy)-1-[(4-fluorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one (C20H18FNO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 323.36 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-(Benzyloxy)-1-[(4-fluorophenyl)methyl]-2-methyl-1,4-dihydropyridin-4-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H18FNO2 |
| Molecular Weight | 323.36 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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- Methyl 2-bromo-4-(pyridin-4-yl)thiazole-5-carboxylate (CAS 1206908-42-0)
- Ethyl (4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate (CAS 922904-38-9)
- Ethyl 4-methyl-2-(3-nitrophenyl)thiazole-5-carboxylate (CAS 209540-06-7)
- 4-(5-Methyl-3-phenylisoxazole-4-carbonyl)-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide (CAS 439109-67-8)
- (2S,3R,4S,5S,6R)-2-(4-Allyl-2-methoxyphenoxy)-6-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol (CAS 585-90-0)
- Peptide Impurity 26 (CAS 1350456-66-4)
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