tert-Butyl 4-(2-chloro-4-fluorophenoxy)piperidine-1-carboxylate CAS 950648-98-3
| CAS No. | 950648-98-3 |
| Molecular Formula | C16H21ClFNO3 |
| Molecular Weight | 329.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 329.79 g/mol gives tert-Butyl 4-(2-chloro-4-fluorophenoxy)piperidine-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 4-(2-chloro-4-fluorophenoxy)piperidine-1-carboxylate (CAS 950648-98-3), molecular formula C16H21ClFNO3 and molecular weight 329.79 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 4-(2-chloro-4-fluorophenoxy)piperidine-1-carboxylate (C16H21ClFNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 329.79 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C16H21ClFNO3 |
| Molecular Weight | 329.79 g/mol |
| Appearance | Off-white to pale 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 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Lornoxicam impurity 71 (CAS CATO-C4X-201671)
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- CAY10649 (CAS 1272519-89-7)
- (S)-2-chloropropanoyl chloride (CAS 70110-24-6)
- 1-((3-Bromo-4-methoxyphenyl)sulfonyl)piperidin-4-ol (CAS 1154140-58-5)
- 2-Tolylboronic acid pinacol ester-d3 (CAS 2170371-99-8)
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