3,4-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone CAS 898786-97-5
| CAS No. | 898786-97-5 |
| Molecular Formula | C16H20F2O3 |
| Molecular Weight | 298.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,4-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone (CAS 898786-97-5), molecular formula C16H20F2O3 and molecular weight 298.33 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3,4-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone (C16H20F2O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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. 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 | C16H20F2O3 |
| Molecular Weight | 298.33 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, 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 Difluoro Standards
- 2,4-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone (CAS 898786-83-9)
- 2,6-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone (CAS 898786-93-1)
- 3,5-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone (CAS 898787-02-5)
- Benzyl (2,2-difluoro-2-(piperidin-4-yl)ethyl)carbamate (CAS 2306261-05-0)
- 2,3-Difluoro-6-(2-morpholinothiazol-4-yl)phenol (CAS 1621375-40-3)
- 2,3-Difluoro-1-methoxy-4-(((1S,4R)-4-propylcyclohexyl)methoxy)benzene (CAS 1373116-00-7)
- (Z)-6,6'-Difluoro-[2,2'-biindolinylidene]-3,3'-dione (CAS 362-20-9)
- 5,5'-Difluoro-[2,2'-biindolinylidene]-3,3'-dione (CAS 362-19-6)
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