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| | METHYL 1H-PYRAZOLE-4-CARBOXYLATE Basic information |
| Product Name: | METHYL 1H-PYRAZOLE-4-CARBOXYLATE | | Synonyms: | PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER;Methyl4-1H-pyrazolecarboxylate;Methyl 4-pyrazolecarboxylate;METHYL 1H-PYRAZOLE-4-CARBOXYLATE;Methyl pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid methyl ester;4-(Methoxycarbonyl)-1H-pyrazole;Methyl 1H-pyrazole-4-carboxylate 97% | | CAS: | 51105-90-9 | | MF: | C5H6N2O2 | | MW: | 126.11 | | EINECS: | | | Product Categories: | | | Mol File: | 51105-90-9.mol |  |
| | METHYL 1H-PYRAZOLE-4-CARBOXYLATE Chemical Properties |
| Melting point | 145-146℃ | | Boiling point | 271℃ | | density | 1.275 | | Fp | 118℃ | | storage temp. | Inert atmosphere,Room Temperature | | form | solid | | pka | 11.59±0.50(Predicted) | | color | Faint yellow | | InChI | InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-7-3-4/h2-3H,1H3,(H,6,7) | | InChIKey | VFTZKSMAJVLWOV-UHFFFAOYSA-N | | SMILES | N1C=C(C(OC)=O)C=N1 | | CAS DataBase Reference | 51105-90-9 |
| | METHYL 1H-PYRAZOLE-4-CARBOXYLATE Usage And Synthesis |
| Uses | Methyl 1H-Pyrazole-4-carboxylate is used to prepare aminomethylpiperidines as β3-agonists. It is also a possbile inhibitor of liver alcohol dehydrogenase. | | Synthesis | A) Synthesis of methyl 1H-pyrazole-4-carboxylate: 1H-pyrazole-4-carboxylic acid (4.00 g) was dissolved in 4M HCl/methanol solution (150 mL) and the reaction was stirred overnight at room temperature. After completion of the reaction, the solvent was removed by rotary evaporation at room temperature. The product was dried under reduced pressure to give the title compound 1H-pyrazole-4-carboxylic acid methyl ester (5.0 g, white solid). The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 3.72 (3H, s, -OCH3), 8.09 (2H, s, pyrazole ring-H), 11.62 (1H, s, -NH). | | References | [1] Patent: WO2017/68089, 2017, A2. Location in patent: Page/Page column 297; 298
[2] Patent: EP2848618, 2015, A1. Location in patent: Paragraph 0842
[3] Patent: WO2018/31877, 2018, A1. Location in patent: Paragraph 00194 |
| | METHYL 1H-PYRAZOLE-4-CARBOXYLATE Preparation Products And Raw materials |
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