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| | 1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester Basic information |
| Product Name: | 1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester | | Synonyms: | Methyl 1-methyl-4-pyrazolecarboxylate;methyl 1-methylpyrazole-4-carboxylate;Methyl 1-Methyl-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 1-methyl-, methyl ester (9CI, ACI);1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester (9CI ACI);methyl 1-methylpyrazole-4-carboxylate - [M87048];Methyl 1-methyl-1H-pyrazol-4-carboxylate;1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester | | CAS: | 5952-93-2 | | MF: | C6H8N2O2 | | MW: | 140.14 | | EINECS: | | | Product Categories: | | | Mol File: | 5952-93-2.mol |  |
| | 1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester Chemical Properties |
| Melting point | 62.0-62.5 °C | | Boiling point | 221.6±13.0 °C(Predicted) | | density | 1.18±0.1 g/cm3(Predicted) | | storage temp. | Store at room temperature | | pka | -0.01±0.10(Predicted) | | Appearance | Off-white to light yellow Solid | | InChI | InChI=1S/C6H8N2O2/c1-8-4-5(3-7-8)6(9)10-2/h3-4H,1-2H3 | | InChIKey | HGQQQXMARFJNCP-UHFFFAOYSA-N | | SMILES | N1(C)C=C(C(OC)=O)C=N1 |
| | 1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester Usage And Synthesis |
| Synthesis | Step A: Trimethylsilylated diazomethane (12.0 mL, 24 mmol, 2.0 M hexane solution) was slowly added dropwise to a solution of 1-methyl-4-pyrazolecarboxylic acid (0.59 g, 4.7 mmol) in methanol (20 mL) at 0 °C through an addition funnel. The reaction mixture was stirred at the same temperature for 20 min followed by concentration. The crude product was partitioned between ethyl acetate (100 mL) and water (50 mL). The organic phase was dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by fast column chromatography using hexane/ethyl acetate (4:1, v/v) as eluent to afford methyl 1-methyl-1H-pyrazole-4-carboxylate (0.50 g, 3.6 mmol, 76% yield) as a white solid. Mass spectrum (APCI-positive ion mode) m/z: [M+1]+ = 141.1. | | References | [1] Patent: WO2011/25951, 2011, A1. Location in patent: Page/Page column 54 |
| | 1-Methyl-1H-pyrazole-4-carboxylic acid methyl ester Preparation Products And Raw materials |
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