8-tert-Butyl-4-(4-chloro-2-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid CAS 1326809-87-3
| CAS No. | 1326809-87-3 |
| Molecular Formula | C20H25ClFNO4 |
| Molecular Weight | 397.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 8-tert-Butyl-4-(4-chloro-2-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid 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.
8-tert-Butyl-4-(4-chloro-2-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326809-87-3) is a high-purity analytical reference standard with the molecular formula C20H25ClFNO4 and a molecular weight of 397.87 g/mol.
The molecular framework of 8-tert-Butyl-4-(4-chloro-2-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (C20H25ClFNO4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C20H25ClFNO4 |
| Molecular Weight | 397.87 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, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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- 8-tert-Butyl-4-(3,5-dichlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326810-14-3)
- 4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid (CAS 849925-06-0)
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