| Identification | Back Directory | [Name]
1-Methyl-1H-pyrazol-3(2H)-one | [CAS]
52867-35-3 | [Synonyms]
EOS-62072
1-Methyl-3-pyrazolone
1-Methyl-1H-pyrazol-3(2H)
1-Methylpyrazol-3(2H)-one
3-Hydroxy-1-methylpyrazole
1-METHYL-1H-PYRAZOL-3-OL(WX900134)
1-methyl-2,3-dihydro-1H-pyrazol-3-one
1-Methyl-1,2-dihydro-3H-pyrazol-3-one
3H-Pyrazol-3-one, 1,2-dihydro-1-methyl- | [Molecular Formula]
C4H6N2O | [MDL Number]
MFCD21604051 | [MOL File]
52867-35-3.mol | [Molecular Weight]
98.1 |
| Chemical Properties | Back Directory | [Melting point ]
124-128°C | [density ]
1.146±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
8.98±0.70(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C4H6N2O/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7) | [InChIKey]
WIISOYLZJJYTHT-UHFFFAOYSA-N | [SMILES]
N1(C)C=CC(=O)N1 |
| Hazard Information | Back Directory | [Synthesis]
Example 7: General procedure for the synthesis of 1-methyl-1H-pyrazol-3(2H)-one from methyl 3-methoxyacrylate and monomethylhydrazine. In a 250 mL flask, 70 g of methanol and 60.5 g (0.46 mol) of 35% concentration of monomethylhydrazine aqueous solution were first added and the reaction temperature was kept at 25 °C. Subsequently, 47.8 g (0.40 mol) of methyl 3-methoxyacrylate was slowly added dropwise over 25 min. The pH of the reaction mixture was maintained at 12 by parallel dropwise addition of a 17% concentration of aqueous NaOH solution during the dropwise addition and during subsequent stirring for 6 h. A total of 97.5 g of NaOH solution was consumed for this process. The yield of the target product 1-methyl-1H-pyrazol-3(2H)-one was 75% when the reaction reached 100% conversion. The ratio of 3-hydroxy isomer to 5-hydroxy isomer in the product was ≥15:1. | [References]
[1] Patent: US6392058, 2002, B1 |
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