5,7-Di-tert-butyl-3-(4-(trifluoromethoxy)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate CAS 2750161-90-9
| CAS No. | 2750161-90-9 |
| Molecular Formula | C22H25F3NO2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5,7-Di-tert-butyl-3-(4-(trifluoromethoxy)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate (CAS 2750161-90-9), molecular formula C22H25F3NO2BF4 and molecular weight 479.24 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5,7-Di-tert-butyl-3-(4-(trifluoromethoxy)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate (C22H25F3NO2BF4) 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.
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 5,7-Di-tert-butyl-3-(4-(trifluoromethoxy)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate 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 | C22H25F3NO2 BF4 |
| Molecular Weight | 479.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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- (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-((2-nitrobenzyl)oxy)tetrahydrofuran-3-ol (CAS 73552-71-3)
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- N-(4H-Chromeno[4,3-d]thiazol-2-yl)-4-cyanobenzamide (CAS 681158-95-2)
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