| Identification | Back Directory | [Name]
PYRIMIDINE, 2,4,6-TRICHLORO-5-METHOXY- | [CAS]
60703-46-0 | [Synonyms]
2,4,6-trichloro-5-MethoxypyriMidine
PYRIMIDINE, 2,4,6-TRICHLORO-5-METHOXY- | [Molecular Formula]
C5H3Cl3N2O | [MDL Number]
MFCD11226168 | [MOL File]
60703-46-0.mol | [Molecular Weight]
213.45 |
| Chemical Properties | Back Directory | [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. ]
Inert atmosphere,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 |
| Hazard Information | Back Directory | [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 |
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