| Identification | Back Directory | [Name]
1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9CI) | [CAS]
360056-45-7 | [Synonyms]
Methyl 4-aMino-1H-pyrazol...
Methyl 4-aMino-1H-pyrazole-3-carboxylate
4-Aminopyrazole-3-carboxylic acid methyl ester
1H-Pyrazole-3-carboxylicacid,4-aMino-,Methylester
4-AMino-1H-pyrazole-3-carboxylic acid Methyl ester
1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9CI) | [Molecular Formula]
C5H7N3O2 | [MDL Number]
MFCD02646737 | [MOL File]
360056-45-7.mol | [Molecular Weight]
141.13 |
| Chemical Properties | Back Directory | [Boiling point ]
348.0±22.0 °C(Predicted) | [density ]
1.395±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [pka]
14.74±0.50(Predicted) | [Appearance]
Brown to black Solid | [InChI]
InChI=1S/C5H7N3O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,6H2,1H3,(H,7,8) | [InChIKey]
UYWFTIKDUFKYJS-UHFFFAOYSA-N | [SMILES]
N1C=C(N)C(C(OC)=O)=N1 |
| Hazard Information | Back Directory | [Synthesis]
Methyl 4-nitro-1H-pyrazole-3-carboxylate (9.63 g, 56.3 mmol) was used as starting material and 10% palladium/carbon catalyst (1.00 g) and methanol (150 mL) were added. The reaction was stirred under hydrogen atmosphere at room temperature for 16 hours. After completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford methyl 4-amino-1H-pyrazole-3-carboxylate (7.87 g, 99% yield). The product was characterized by 1H-NMR (CDCl3): δ 3.93 (3H, s, -OCH3), 4.08 (2H, brs, -NH2), 7.25 (1H, s, pyrazole ring-H). | [References]
[1] Patent: US2009/156582, 2009, A1. Location in patent: Page/Page column 28
[2] Patent: EP1847531, 2007, A1. Location in patent: Page/Page column 40
[3] Patent: WO2006/70195, 2006, A1. Location in patent: Page/Page column 181-182; 188-189
[4] Patent: WO2006/77426, 2006, A2. Location in patent: Page/Page column 72-73; 97
[5] Patent: WO2006/77425, 2006, A1. Location in patent: Page/Page column 210-211 |
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