| Identification | Back Directory | [Name]
4(1H)-Pyrimidinone, 5-methoxy- (9CI) | [CAS]
695-87-4 | [Synonyms]
5-Methoxy-4(1H)-pyrimidone
5-Methoxy-4(3H)-pyrimidone
5-MethoxypyriMidin-4(1H)-one
5-Methoxy-3H-pyrimidin-4-one
5-Methoxy-4(1H)-pyrimidinone
4(1H)-Pyrimidinone, 5-methoxy- (9CI)
4(1H)-Pyrimidinone, 5-methoxy- (9CI) ISO 9001：2015 REACH | [Molecular Formula]
C5H6N2O2 | [MOL File]
695-87-4.mol | [Molecular Weight]
126.11 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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