tert-Butyl 4-(2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3,3-difluoropiperidine-1-carboxylate CAS 2058321-97-2
| CAS No. | 2058321-97-2 |
| Molecular Formula | C23H31BF2N2O5 |
| Molecular Weight | 464.31 g/mol |
| 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.
tert-Butyl 4-(2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3,3-difluoropiperidine-1-carboxylate (CAS 2058321-97-2), molecular formula C23H31BF2N2O5 and molecular weight 464.31 g/mol, is a CATO reference standard with documented purity and traceability.
tert-Butyl 4-(2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3,3-difluoropiperidine-1-carboxylate (C23H31BF2N2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C23H31BF2N2O5 |
| Molecular Weight | 464.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 1-(4-(Tributylstannyl)benzyl)piperidine (CAS 943752-11-2)
- 1-[(4-Bromophenyl)methyl]-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine (CAS 1031206-96-8)
- [1-(3,4-dichlorobenzoyl)-4-fluoro-4-piperidinyl]methyl 4-fluorobenzenesulfonate (CAS 477857-55-9)
- Crizotinib 2-Keto Impurity (CAS 1415558-82-5)
- Dicyclopentylmethanol (CAS 6300-99-8)
- 2-Hydroxy-4-methyl-5-nitrobenzaldehyde (CAS 101421-77-6)
- 2-(2-(2-(2-([1,1'-Biphenyl]-4-yloxy)ethoxy)ethoxy)ethoxy)ethanol (CAS 89807-27-2)
- 1-(2-Methoxyethyl)-1h-indazol-6-amine (CAS 938523-42-3)
- Ethyl 3-(2-ethylphenyl)-3-oxopropanoate (CAS 1194825-75-6)
- 3-Methoxy-5,6-dimethylpyrazin-2-ol (CAS 100868-74-4)
- Cefdinir Impurity 94 (CAS CATO-C4X-121094)
- Tert-butyl (2-(4-bromobenzamido)ethyl)carbamate (CAS 1008505-59-6)
- N-Cyclohexyl-4-(6-(4-ethoxyphenyl)pyridazin-3-yl)piperazine-1-carboxamide (CAS 1040642-27-0)
- Semaglutide-d5 (CAS CATO-C4X-2226153)
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