2-[3-(Difluoromethyl)-4-fluoro-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane CAS 2649471-81-6
| CAS No. | 2649471-81-6 |
| Molecular Formula | C14H18BF3O3 |
| Molecular Weight | 302.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[3-(Difluoromethyl)-4-fluoro-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2649471-81-6), molecular formula C14H18BF3O3 and molecular weight 302.10 g/mol, is a CATO reference standard with documented purity and traceability.
2-[3-(Difluoromethyl)-4-fluoro-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (C14H18BF3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, 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.
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 | C14H18BF3O3 |
| Molecular Weight | 302.10 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
Related Difluoromethyl Standards
- 4-(Difluoromethyl)-5-nitro-6-(trifluoromethoxy)picolinic acid (CAS 1804709-42-9)
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- 2-(Difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid (CAS 1805226-01-0)
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- 2-(Difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine-5-carboxylic acid (CAS 1805299-34-6)
- 2-(Difluoromethyl)-3-nitro-4-(trifluoromethoxy)pyridine-5-carboxylic acid (CAS 1806049-12-6)
- 2-(Difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-5-carboxylic acid (CAS 1806049-19-3)
Recommended Standards
- 2,2,2-Trifluoro-1-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol (CAS 2304631-56-7)
- 3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenol (CAS 2557358-38-8)
- 2-(3-Methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 479411-93-3)
- 4-(2,2,2-Trifluoroethoxy)phenylboronic Acid Pinacol Ester (CAS 886528-42-3)
- N-(2-aminoethyl)-3,4-dichlorobenzamide hydrochloride (CAS 94319-86-5)
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- Methyl 2-(3-cyano-6-methoxy-2-oxo-1,2-dihydropyridin-4-yl)acetate (CAS 1268490-69-2)
- [1,2,4]Triazolo[1,5-a]quinoxalin-4-ol (CAS 150454-83-4)
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- N-Methylprop-2-en-1-amine hydrochloride (CAS 72925-97-4)
- endo-Arg30-Semaglutide (CAS CATO-C4X-2226281)
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