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| | 4(1H)-Pyrimidinone, 5-methoxy- (9CI) Basic information |
| Product Name: | 4(1H)-Pyrimidinone, 5-methoxy- (9CI) | | Synonyms: | 4(1H)-Pyrimidinone, 5-methoxy- (9CI);5-Methoxy-4(1H)-pyrimidone;5-Methoxy-4(3H)-pyrimidone;5-MethoxypyriMidin-4(1H)-one;5-Methoxy-3H-pyrimidin-4-one;4(1H)-Pyrimidinone, 5-methoxy- (9CI) ISO 9001：2015 REACH;5-Methoxy-4(1H)-pyrimidinone | | CAS: | 695-87-4 | | MF: | C5H6N2O2 | | MW: | 126.11 | | EINECS: | | | Product Categories: | PYRIMIDINE | | Mol File: | 695-87-4.mol |  |
| | 4(1H)-Pyrimidinone, 5-methoxy- (9CI) Chemical Properties |
| Melting point | 210-211℃ (ethanol ) | | density | 1.30±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 8.20±0.40(Predicted) | | InChI | InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8) | | InChIKey | WOKGGVGWBXBJPK-UHFFFAOYSA-N | | SMILES | C1=NC=C(OC)C(=O)N1 |
| | 4(1H)-Pyrimidinone, 5-methoxy- (9CI) Usage And Synthesis |
| Uses | 5-Methoxypyrimidin-4(1H)-one is useful in the synthesis of Oxazolylphenyl alkylcarbamates as FAAH inhibitors | | Synthesis | The general procedure for the synthesis of 4-hydroxy-5-methoxypyrimidine from 5-methoxy-2-thio-2,3-dihydropyrimidin-4(1H)-one is as follows: 3.9 g of Ruannei nickel (slurry) was added to a 60 mL hydrothermal solution containing 4.1 g (0.026 mol) of 2-mercapto-5-methoxy-3H-pyrimidin-4-one (Example P1). The reaction mixture was stirred vigorously at reflux temperature for 8 hours and then filtered. The filtrate was combined with the wash grades and concentrated by evaporation on a hot water bath. The resulting residue was purified by ethanol recrystallization in the presence of activated carbon. Eventually 1.9 g of 4-hydroxy-5-methoxypyrimidine in needle form was obtained in 69% yield of the theoretical value, with a melting point of 206-208 °C.1H NMR (300 MHz, DMSO-d6) data were as follows: δ 7.828 ppm (s, 1H); 7.527 ppm (s, 1H); 3.728 ppm (s, 3H). | | References | [1] Patent: WO2003/87067, 2003, A1. Location in patent: Page/Page column 36-37 |
| | 4(1H)-Pyrimidinone, 5-methoxy- (9CI) Preparation Products And Raw materials |
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