(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate CAS 464174-87-6
| CAS No. | 464174-87-6 |
| Molecular Formula | C18H18N3O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies (S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate (CAS 464174-87-6), a certified reference material (molecular formula C18H18N3OBF3F, MW 379.16 g/mol) for analytical method development and quality control.
The molecular framework of (S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate (C18H18N3OBF3F) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H18N3O BF3 F |
| Molecular Weight | 379.16 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) | 9.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 2-Chlorooxazolo[5,4-b]pyridine hydrochloride (CAS 1956341-87-9)
- Isopropyl (1R,3R)-3-hydroxycyclohexane-1-carboxylate (CAS CATO-C3D-263012)
- Methyl 5-((2,4-dimethylphenoxy)methyl)furan-2-carboxylate (CAS 438221-53-5)
- 2-(Methoxycarbonyl)benzofuran-5-carboxylic acid (CAS 166952-92-7)
- Methyl 2,3,4,6-Tetra-O-benzyl-α-D-galactopyranoside (CAS 53008-63-2)
- 4-Bromo-2-chloro-5-fluorobenzenesulfonyl chloride (CAS 1208076-22-5)
- Methyl 2-Amino-3-(3,4-dimethoxyphenyl)propanoate (CAS 59291-28-0)
- n-(4-Methylbenzyl)cyclohexanamine (CAS 70000-62-3)
- Mirabegron Impurity 145 (CAS CATO-C4X-1032145)
- Peptide 431 (CAS CATO-CPTD788431)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com