Methyl 2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)-6-oxo-1,2-diazinane-4-carboxylate CAS 251307-23-0
| CAS No. | 251307-23-0 |
| Molecular Formula | C14H13ClF3N3O4S |
| Molecular Weight | 411.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)-6-oxo-1,2-diazinane-4-carboxylate (CAS 251307-23-0) is a high-purity analytical reference standard with the molecular formula C14H13ClF3N3O4S and a molecular weight of 411.78 g/mol.
The molecular framework of Methyl 2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)-6-oxo-1,2-diazinane-4-carboxylate (C14H13ClF3N3O4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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 | C14H13ClF3N3O4S |
| Molecular Weight | 411.78 g/mol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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