| Identification | Back Directory | [Name]
METHYL 1H-PYRAZOLE-4-CARBOXYLATE | [CAS]
51105-90-9 | [Synonyms]
Methyl 4-pyrazolecarboxylate
Methyl pyrazole-4-carboxylate
Methyl4-1H-pyrazolecarboxylate
4-(Methoxycarbonyl)-1H-pyrazole
METHYL 1H-PYRAZOLE-4-CARBOXYLATE
Methyl 1H-pyrazole-4-carboxylate 97%
PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
1H-Pyrazole-4-carboxylic acid methyl ester | [Molecular Formula]
C5H6N2O2 | [MDL Number]
MFCD00297363 | [MOL File]
51105-90-9.mol | [Molecular Weight]
126.11 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
|
|