(3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone CAS 898761-93-8
| CAS No. | 898761-93-8 |
| Molecular Formula | C21H21BrFNO3 |
| Molecular Weight | 434.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone.
CATO supplies (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone (CAS 898761-93-8), a certified reference material (molecular formula C21H21BrFNO3, MW 434.30 g/mol) for analytical method development and quality control.
The molecular framework of (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone (C21H21BrFNO3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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 | C21H21BrFNO3 |
| Molecular Weight | 434.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Dioxa Standards
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-2-fluorophenyl)methanone (CAS 898756-36-0)
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone (CAS 898756-17-7)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-2-fluorophenyl)methanone (CAS 898762-09-9)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-2-fluorophenyl)methanone (CAS 898758-16-2)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-bromo-3-fluorophenyl)methanone (CAS 898758-00-4)
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Recommended Standards
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- Semaglutide impurity 197 (CAS CATO-C4X-2226197)
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