| Identification | Back Directory | [Name]
NSC360636 | [CAS]
55864-87-4 | [Synonyms]
NSC360636
BAS 00396152
MFCD00464008
ZINC01514296
STOCK1S-61687
Ethyl 4-nitropyrazole-3-carboxylate
Ethyl4-nitro-1H-pyrazole-5-carboxylate
Ethyl 4-nitro-2H-pyrazole-3-carboxylate
Ethyl 4-nitro-1H-pyrazole-3-carboxylate
4-Nitro-1H-pyrazole-3-carboxylic acid ethyl ester
4-Nitro-2H-pyrazole-3-carboxylic acid ethyl ester
1H-Pyrazole-3-carboxylic acid, 4-nitro-, ethyl ester | [Molecular Formula]
C6H7N3O4 | [MDL Number]
MFCD00195040 | [MOL File]
55864-87-4.mol | [Molecular Weight]
185.14 |
| Chemical Properties | Back Directory | [Melting point ]
124-126 °C(Solv: benzene (71-43-2); ligroine (8032-32-4)) | [Boiling point ]
365.0±22.0 °C(Predicted) | [density ]
1.455±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
6.67±0.50(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of ethyl 4-nitropyrazole-3-carboxylate from ethanol and 4-nitropyrazole-3-carboxylic acid: 4-nitro-1H-pyrazole-3-carboxylic acid (2.5 g, 15.9 mmol) was dissolved in hydrochloric acid solution (38.3 mL, 1.25 M) in ethanol, followed by refluxing the mixture overnight. Upon completion of the reaction, all volatiles were removed by evaporation to afford the white solid product ethyl 4-nitropyrazole-3-carboxylate (2.9 g, 98% yield), which could be used in subsequent reactions without further purification. Results of mass spectrometry analysis: M = 186.1 (M + H)+. | [References]
[1] Patent: US2011/306589, 2011, A1. Location in patent: Page/Page column 45
[2] Patent: WO2011/154327, 2011, A1. Location in patent: Page/Page column 118
[3] Patent: WO2006/70198, 2006, A1. Location in patent: Page/Page column 122-123
[4] Patent: WO2006/3440, 2006, A1. Location in patent: Page/Page column 147
[5] Patent: WO2006/77414, 2006, A1. Location in patent: Page/Page column 142 |
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