2-[6-Amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-4H-pyran-3-carbonyloxy]ethyl 2-methylprop-2-enoate CAS 939888-87-6
| CAS No. | 939888-87-6 |
| Molecular Formula | C20H18ClFN2O5 |
| Molecular Weight | 420.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 420.82 g/mol gives 2-[6-Amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-4H-pyran-3-carbonyloxy]ethyl 2-methylprop-2-enoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-[6-Amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-4H-pyran-3-carbonyloxy]ethyl 2-methylprop-2-enoate (CAS 939888-87-6), a certified reference material (molecular formula C20H18ClFN2O5, MW 420.82 g/mol) for analytical method development and quality control.
Structurally, 2-[6-Amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-4H-pyran-3-carbonyloxy]ethyl 2-methylprop-2-enoate (C20H18ClFN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 420.82 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 2-[6-Amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-4H-pyran-3-carbonyloxy]ethyl 2-methylprop-2-enoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H18ClFN2O5 |
| Molecular Weight | 420.82 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 2-((4-Chloro-N-(3-(trifluoromethyl)phenyl)phenyl)sulfonamido)-N,N-dimethylacetamide (CAS 337922-20-0)
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- 3-ethynyl-3-fluorooxolane (CAS 2055614-94-1)
- N-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-L-aspartic Acid (CAS 151435-24-4)
- Ethyl [1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CAS 1416241-62-7)
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