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| | 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Basic information |
| Product Name: | 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
| | Synonyms: | 1-Methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester;Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate 97%;Methyl 5-hydroxy-1-methyl-3-pyrazolecarboxylate;NSC 338308;5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER;1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester;Methyl 5-hydroxy-1-Methyl-1H-pyrazole-3-carboxylate;Methyl 1-Methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate | | CAS: | 51985-95-6 | | MF: | C6H8N2O3 | | MW: | 156.14 | | EINECS: | | | Product Categories: | | | Mol File: | 51985-95-6.mol |  |
| | 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Chemical Properties |
| Melting point | 195-200°C | | Boiling point | 330.7±22.0 °C(Predicted) | | density | 1.35±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | solid | | pka | 8.26±0.28(Predicted) | | color | Pale brown | | InChI | InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,9H,1-2H3 | | InChIKey | IWOKRTHKTAEDLP-UHFFFAOYSA-N | | SMILES | N1(C)C(O)=CC(C(OC)=O)=N1 |
| WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2933199090 | | Storage Class | 13 - Non Combustible Solids |
| | 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Usage And Synthesis |
| Synthesis | b) Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate (12.2 g, 65 mmol) was dissolved in xylene (65 mL) and p-toluenesulfonic acid (0.9 g, 4.7 mmol) was added. The reaction mixture was heated to reflux for 6 hours. Upon completion of the reaction, it was cooled to room temperature and stirred overnight. The precipitated solid was collected by filtration and dissolved in ethyl acetate. The organic phase was washed sequentially with sodium bicarbonate solution and saturated brine and dried over anhydrous sodium sulfate. After filtration, the organic phase was concentrated under reduced pressure to give methyl 1-methyl-5-hydroxypyrazole-3-carboxylate (7.49 g, 74% yield) as a light brown solid. The purity of the product was improved by diisopropyl ether milling. Mass spectrometry analysis showed: m/e = 157.2 [M + H]+. | | References | [1] Patent: WO2010/127975, 2010, A1. Location in patent: Page/Page column 131 |
| | 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Preparation Products And Raw materials |
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