Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-toluidino)vinyl]-4-isoxazolecarboxylate CAS 338417-65-5
| CAS No. | 338417-65-5 |
| Molecular Formula | C20H16ClFN2O3 |
| Molecular Weight | 386.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-toluidino)vinyl]-4-isoxazolecarboxylate (C20H16ClFN2O3) is characterized by a steroid core, an amide 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-toluidino)vinyl]-4-isoxazolecarboxylate (CAS 338417-65-5) is a high-purity analytical reference standard with the molecular formula C20H16ClFN2O3 and a molecular weight of 386.80 g/mol.
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 Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-toluidino)vinyl]-4-isoxazolecarboxylate 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 | C20H16ClFN2O3 |
| Molecular Weight | 386.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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