3-Methyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine CAS 853312-75-1
| CAS No. | 853312-75-1 |
| Molecular Formula | C18H11F3N2O |
| Molecular Weight | 328.29 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 3-Methyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine.
3-Methyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine (CAS 853312-75-1), molecular formula C18H11F3N2O and molecular weight 328.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Methyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine (C18H11F3N2O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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 328.29 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.
As a certified reference material (CRM), 3-Methyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine 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 | C18H11F3N2O |
| Molecular Weight | 328.29 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 6-Methyl-2-(naphthalen-2-yloxy)-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 478049-81-9)
- N-(naphthalen-1-yl)-2-nitrobenzenesulfonamide (CAS 50393-59-4)
- N-(naphthalen-1-yl)-3-nitrobenzenesulfonamide (CAS 419559-79-8)
- naphthalen-1-yldiphenylphosphine oxide (CAS 3095-33-8)
- 2-(Naphthalen-1-ylmethyl)-2-((tetrahydrofuran-2-yl)methyl)malonic acid (CAS 113527-39-2)
- 2-(3-(Naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl)acetic acid (CAS 70598-40-2)
- 5-Methyl-1-(naphthalen-1-yl)-N-phenyl-1H-1,2,3-triazole-4-carboxamide (CAS 70292-11-4)
- 2-(Naphthalen-1-yl)ethyl quinoline-4-carboxylate (CAS 6318-00-9)
Recommended Standards
- 3-(P-tolyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-c]quinazoline (CAS 303148-62-1)
- 4-[3-(Trifluoromethyl)phenoxy]pyrrolo[1,2-a]quinoxaline (CAS 478032-24-5)
- 2-(1H-1,3-benzodiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile (CAS 244167-61-1)
- 1-(4-Methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CAS 343372-45-2)
- 2-Heptylundecan-1-ol (CAS 5333-44-8)
- 1-(4-Methoxy-biphenyl-4-yl)-ethanol (CAS 60992-53-2)
- 2-(phenylthio)ethanethioamide 2-phenylsulfanylethanethioamide 273-09-6 A819003 (CAS 273-09-6)
- Regorafenib Impurity 60 (CAS CATO-C4X-104760)
- 2-(Chloromethyl)-4-methylbenzoxazole (CAS 143708-32-1)
- Phenyl[(thien-2-ylsulfonyl)amino]acetic acid (CAS 1103529-64-1)
- 7-Chloro-4-methoxyquinoline-3-carboxylic acid (CAS 876708-52-0)
- (1S,2S)-2-(3-phenylpropoxy)cyclopentan-1-amine (CAS 1951372-21-6)
- 3,4-Dichloro-N-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-N-(4-methoxyphenyl)benzamide (CAS 956368-40-4)
- Neuropeptide S (human) (CAS 412938-67-1)
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