1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione CAS 63458-98-0
| CAS No. | 63458-98-0 |
| Molecular Formula | C12H11F3O4 |
| Molecular Weight | 276.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 63458-98-0), molecular formula C12H11F3O4 and molecular weight 276.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (C12H11F3O4) 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. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H11F3O4 |
| Molecular Weight | 276.21 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; Hygroscopic; reseal immediately after opening; 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.) | 1975 |
| Halogen Content | F-containing |
Related Dimethoxyphenyl Standards
- 1-(2,5-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 15278-30-5)
- 1-(2,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 82529-67-7)
- 1-(3,5-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 71712-91-9)
- 6-(3,4-Dimethoxyphenyl)-3-nitropyridin-2(1H)-one (CAS 1437457-79-8)
- 4-(2,4-Dimethoxyphenyl)-2-fluorobenzoic acid (CAS 1179916-77-8)
- 3-(2,4-Dimethoxyphenyl)-5-fluorobenzoic acid (CAS 1261895-15-1)
- Ethyl 5-(2,4-dimethoxyphenyl)-1H-pyrazole-3-carboxylate (CAS 1036999-93-5)
- Ethyl 5-(2,5-dimethoxyphenyl)-1H-pyrazole-3-carboxylate (CAS 1326810-38-1)
Recommended Standards
- (1-(tert-butyldimethylsilyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)boronic acid (CAS 754214-67-0)
- 2-(Morpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CAS 545395-42-4)
- 2-Dimethoxymethyl-6-trifluoromethoxy-1H-benzoimidazole (CAS 1965309-88-9)
- 2-(Trifluoromethyl)anthracene-9,10-dione (CAS 362-21-0)
- 6,6-Dimethyl-2-oxopiperidine-3-carboxylic acid (CAS 2231013-50-4)
- 2,2-Dimethylhex-5-enal (CAS 52278-99-6)
- 2-(4-Methylcyclohexyl)ethan-1-amine (CAS 408312-01-6)
- Racecadotril Impurity 13 (CAS 136010-55-4)
- 2-Benzyl-5-bromopyridine (CAS 313990-64-6)
- 7-Bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS 1245708-34-2)
- 4-(4-(Pyridin-2-yl)pyrimidin-2-yl)phenol (CAS 477856-93-2)
- 2-(4-(2,4-Dimethylphenyl)piperazin-1-yl)-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 882082-37-3)
- Bisandrographolide C (CAS 160498-02-2)
- Insulin Degludec impurity 4 (CAS CATO-C4X-21574)
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