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| | Pyrimidine, 2,4,6-trichloro-5-methoxy- Basic information |
| | Pyrimidine, 2,4,6-trichloro-5-methoxy- Chemical Properties |
| Melting point | 67-68℃ (water, 50% ethanol ) | | Boiling point | 255.2±35.0 °C(Predicted) | | density | 1.572±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | -6.98±0.39(Predicted) | | Appearance | White to yellow Solid | | InChI | InChI=1S/C5H3Cl3N2O/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3 | | InChIKey | BXDZWBOGMCNUSE-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC(Cl)=C(OC)C(Cl)=N1 |
| | Pyrimidine, 2,4,6-trichloro-5-methoxy- Usage And Synthesis |
| Synthesis | Step 2: 2,4,6-Trichloro-5-methoxypyrimidine-6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione sodium salt (21 mmol) was suspended in phosphoryl chloride (20 mL). The mixture was dispensed in two 20 mL microwave reaction vials. The reaction mixture was heated at 130-140 °C (pressure about 10-12 bar) for 30 min (significant pressure rise was observed) using microwave radiation. After the reaction mixtures were cooled, they were carefully combined and slowly poured into water preheated to about 40°C. The resulting mixture was extracted twice with ethyl acetate, the organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 2,4,6-trichloro-5-methoxypyrimidine as a yellow/brown crystalline solid (3.75 g, 84% yield).1H NMR (CDCl3): δ 3.98 (s, 3H). | | References | [1] Patent: WO2012/82997, 2012, A1. Location in patent: Page/Page column 84 |
| | Pyrimidine, 2,4,6-trichloro-5-methoxy- Preparation Products And Raw materials |
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