2,4,6-Trimethylpyrylium Tetrafluoroborate
2,4,6-Trimethylpyrylium tetrafluoroborate
CAS: 773-01-3
Molecular Formula: C8H11BF4O
2,4,6-Trimethylpyrylium Tetrafluoroborate - Names and Identifiers
| Name | 2,4,6-Trimethylpyrylium tetrafluoroborate |
| Synonyms | AI3-61775 AKOS 90396 2,4,6-trimethylpyranium TRIMETHYLPYRYLIUM TETRAFLUOROBORATE 2,4,6-Trimethylpyrylium tetrafluoborate 2,4,6-TRIMETHYLPYRILIUMTETRAFLUOROBORATE 2,4,6-TRIMETHYLPYRYLIUM TETRAFLUOROBORATE 2,4,6-trimethylpyranium tetrafluoroborate 2,4,6-Trimethylpyrylium tetrafluoroborate Pyrylium, 2,4,6-trimethyl-, tetrafluoroborate(1-) |
| CAS | 773-01-3 |
| EINECS | 212-256-2 |
| InChI | InChI=1/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1 |
2,4,6-Trimethylpyrylium Tetrafluoroborate - Physico-chemical Properties
| Molecular Formula | C8H11BF4O |
| Molar Mass | 209.98 |
| Melting Point | 224-226°C |
| Water Solubility | Soluble in water and methanol. |
| Appearance | powder to crystaline |
| Color | White to Orange to Green |
| BRN | 3639361 |
| Storage Condition | Room Temprature |
| MDL | MFCD00032098 |
2,4,6-Trimethylpyrylium Tetrafluoroborate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1759 8/PG III |
| TSCA | T |
| Hazard Class | IRRITANT |
| Packing Group | III |
2,4,6-Trimethylpyrylium Tetrafluoroborate - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation | Method 1: Add acetic anhydride (1.06 ML, mol,13.0 eq) and tert-butanol (8.00mL,84.2mmol, 1.00 eq.). Fluoroboric acid (14ml, 78mmol,0.95 equiv) was added dropwise. During its addition, the temperature was increased to 80°C. After completion of the exothermic reaction, the mixture was cooled to 5 °c and cold Et 2 O was added and the precipitate was collected, washed with cold Et 2 O and dried. 2,4, 6-trimethylpyranyl tetrafluoroborate was obtained as a colorless solid (11.6g,55.4mmol,71%). 1H NMR(300MHz,CD3OD,300K)δ = 7.87(s,2H,CHarom),2.88(s,6h, 2 × CH3),2.72(s,3H,CH3). 13 C NMR(75MHz,CDCl 3,300K)δ = 179.5(Cq),134.1(Cq),124.3(CH),21.1(CH 3),20.7(CH 3). 19F NMR(282MHz,CD3OD,300K)δ = -154.7. HRMS(ESI)m / z = 123.0804 calculated. MS(ESI):C8H11O [M], found: 123.0762. Spectral data were consistent with previously reported data. |
| Use | 2,4, 6-trimethylpyryranium tetrafluoroborate is useful as an intermediate in the synthesis of pharmaceuticals. |
Last Update：2024-04-09 15:16:52
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