4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)butan-1-one CAS 898786-04-4
| CAS No. | 898786-04-4 |
| Molecular Formula | C16H21FO3 |
| Molecular Weight | 280.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)butan-1-one is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)butan-1-one (CAS 898786-04-4), molecular formula C16H21FO3 and molecular weight 280.33 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)butan-1-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 280.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C16H21FO3 |
| Molecular Weight | 280.33 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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-containing |
Related Dimethyl Standards
- N1-(6-(3,5-Dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)benzene-1,4-diamine (CAS 1706447-04-2)
- 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-3-fluorobutyrophenone (CAS 898786-06-6)
- 898786-09-9 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)butan-1-one DTXSID00645930 (CAS 898786-09-9)
- 4-(6,8-Dimethyl-3-oxo-2,3-dihydro-4H-pyrido-[3,2-b][1,4]thiazin-4-yl)butanoic acid (CAS 1171196-30-7)
- 1,3-Dimethyl-5-{[(piperidin-4-ylmethyl)amino]methylene}pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 362495-00-9)
- 1,2-Dimethyl-6-(thiophen-2-yl)-1H-imidazo[4,5-g]quinoxaline (CAS 226717-28-8)
- 3,7-Dimethyl-1-(2-methylpropyl)-5-sulfanyl-1h,2h,3h,4h-[1,3]diazino[4,5-d]pyrimidine-2,4-dione (CAS 794559-23-2)
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Recommended Standards
- 1-Phenyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 245449-98-3)
- N1-(2-Methyl-6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)benzene-1,4-diamine (CAS 1706449-72-0)
- 5-(((5-(Furan-2-yl)isoxazol-3-yl)methyl)thio)-1,3,4-thiadiazol-2-amine (CAS 878940-45-5)
- 8-((2-(Diethylamino)ethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 672270-14-3)
- 1-Amino-2,6-dibromo-4-hydroxyanthracene-9,10-dione (CAS 5182-26-3)
- N-Benzyl-N,N-dimethyl-2-phenoxyethan-1-aminium chloride (CAS 13928-81-9)
- 2-(chloromethyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-one (CAS 201024-66-0)
- Capivasertib Impurity 48 (CAS CATO-C4X-331248)
- 20-Deoxysalinomycin (CAS 64003-50-5)
- Nistose Trihydrate (CAS 139523-49-2)
- Pantoprazole Impurity 78 (CAS CATO-C4X-139978)
- (2S,5R)-2,5-dimethylmorpholine (CAS 1639924-58-5)
- 2-(2-Bromo-4-chlorophenoxy)propanoic acid (CAS 98590-32-0)
- Gastrin Tetrapeptide (CAS 1947-37-1)
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