(3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone CAS 898761-95-0
| CAS No. | 898761-95-0 |
| Molecular Formula | C21H21ClFNO3 |
| Molecular Weight | 389.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone (CAS 898761-95-0), molecular formula C21H21ClFNO3 and molecular weight 389.85 g/mol, is a CATO reference standard with documented purity and traceability.
(3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone (C21H21ClFNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, 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.
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 | C21H21ClFNO3 |
| Molecular Weight | 389.85 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 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/Cl-containing |
| Nitrogen Atoms | 1 |
Related Dioxa Standards
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(2-chloro-4-fluorophenyl)methanone (CAS 898756-39-3)
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-chloro-4-fluorophenyl)methanone (CAS 898756-20-2)
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-2-fluorophenyl)methanone (CAS 898756-45-1)
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone (CAS 898756-19-9)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(2-chloro-4-fluorophenyl)methanone (CAS 898762-11-3)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-chloro-4-fluorophenyl)methanone (CAS 898761-97-2)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-chloro-5-fluorophenyl)methanone (CAS 898762-13-5)
- (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-2-fluorophenyl)methanone (CAS 898762-16-8)
Recommended Standards
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(2-chloro-4-fluorophenyl)methanone (CAS 898758-19-5)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-chloro-4-fluorophenyl)methanone (CAS 898758-04-8)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-chloro-5-fluorophenyl)methanone (CAS 898758-22-0)
- (4-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-2-fluorophenyl)methanone (CAS 898758-25-3)
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