Methyl 4-(3-(2,6-dichlorobenzyl)-2-methyl-4-oxopyridin-1(4H)-yl)benzoate CAS 339017-46-8
| CAS No. | 339017-46-8 |
| Molecular Formula | C21H17Cl2NO3 |
| Molecular Weight | 402.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 4-(3-(2,6-dichlorobenzyl)-2-methyl-4-oxopyridin-1(4H)-yl)benzoate (CAS 339017-46-8) is a high-purity analytical reference standard with the molecular formula C21H17Cl2NO3 and a molecular weight of 402.27 g/mol.
Structurally, Methyl 4-(3-(2,6-dichlorobenzyl)-2-methyl-4-oxopyridin-1(4H)-yl)benzoate (C21H17Cl2NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 402.27 g/mol, it falls into the moderately-high-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.
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.
Physical & Chemical Properties
| Molecular Formula | C21H17Cl2NO3 |
| Molecular Weight | 402.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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- 1-(2-Amino-1H-benzo[d]imidazol-5-yl)propan-1-one (CAS 63486-17-9)
- Liraglutide Impurity 14 TFA Salt (CAS CATO-C4X-199214)
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