Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate CAS 1097776-52-7
| CAS No. | 1097776-52-7 |
| Molecular Formula | C15H14F3NO4 |
| Molecular Weight | 329.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate.
CATO supplies Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate (CAS 1097776-52-7), a certified reference material (molecular formula C15H14F3NO4, MW 329.27 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 329.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C15H14F3NO4 |
| Molecular Weight | 329.27 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 1-Isopropyl-3-[3-(5-(trifluoromethyl)pyridin-2-yl)--[1,2,4]oxadiazol-5-ylmethyl]urea (CAS 1311280-19-9)
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- Isopropyl 2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3(4H)-yl)acetate (CAS 1207041-10-8)
- 1-Isopropyl-6-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS 945556-91-2)
- Isopropyl 2-amino-4-(2,4-dichlorophenyl)thiophene-3-carboxylate (CAS 350997-32-9)
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Recommended Standards
- 2-((Benzyloxy)carbonyl)-4-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (CAS 1050886-63-9)
- (R)-6,7,8-Trifluoro-1,4-dihydro-1-(2-hydroxy-1-methylethyl)-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester (CAS 110548-05-5)
- Ethyl 2-(3-cyclopropyl-6-hydroxy-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 1018142-74-9)
- 2-Bromo-7-(tert-butyl)-9,9-dimethyl-9H-fluorene (CAS 1154752-78-9)
- 2,3,7,8-Tetrahydroindolizine-5(6H)-thione (CAS 325956-88-5)
- Lacosamide Impurity 15 (CAS 175481-31-9)
- 2-(Furan-3-yl)piperazine (CAS 111781-44-3)
- (R)-1-(2,4,6-Trimethoxyphenyl)ethan-1-ol (CAS 1821705-66-1)
- (5-methyl-1H-1,3-benzodiazol-2-yl)(phenyl)methanol (CAS 18046-35-0)
- 1-(2,4-Dimethylphenyl)-2-mercapto-1H-imidazol-5(4H)-one (CAS 852388-99-9)
- 2-Amino-6-cyanobenzoic acid (CAS 1654011-34-3)
- 5,6-Dihydrobenzo[b]thiophen-7(4H)-one (CAS 1468-84-4)
- (2-Iodo-4,5-dimethoxyphenyl)methanol (CAS 110451-87-1)
- Bonemarrow-Derived Mesenchymal Stem Cells Affinity Peptide trifluoroacetate salt (CAS 683750-83-6)
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