| Identification | Back Directory | [Name]
4-Bromo-3-nitro pyrazole | [CAS]
89717-64-6 | [Synonyms]
4-Bromo-3-nitro pyrazole
44-Bromo-3-nitro pyrazole
4-bromo-5-nitro-1H-pyrazole
1H-Pyrazole, 4-broMo-3-nitro- | [Molecular Formula]
C3H2BrN3O2 | [MDL Number]
MFCD01114992 | [MOL File]
89717-64-6.mol | [Molecular Weight]
191.971 |
| Chemical Properties | Back Directory | [Melting point ]
197-198℃ | [Boiling point ]
320.1±22.0 °C(Predicted) | [density ]
2.156 | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [pka]
7.03±0.50(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 4-bromo-3-nitropyrazole from 3-nitro-1H-pyrazole: Water (15 mL) was added to a mixed system containing 3-nitro-1H-pyrazole (48a) (1 g, 8.90 mmol) and N-bromosuccinimide (NBS) (1.73 g, 9.70 mmol) at room temperature and the reaction mixture was stirred continuously overnight. The progress of the reaction was monitored by thin-layer chromatography (TLC) and after confirming that the reaction was complete, the reaction solution was diluted with water and subsequently extracted with ethyl acetate. The organic phase was sequentially washed with saturated sodium chloride solution, dried over anhydrous sodium sulfate, concentrated under reduced pressure, and the solvent was removed by rotary evaporation to afford the target compound 4-bromo-3-nitropyrazole (48b) (1.66 g, 93% yield, white solid). Mass spectrometry (ESI) data: m/z 192 [M + H]+. | [References]
[1] Patent: EP3360878, 2018, A1. Location in patent: Paragraph 0327; 0328
[2] Patent: CN105669558, 2016, A. Location in patent: Paragraph 0057; 0058; 0059; 0060; 0061; 0062; 0063; 0064
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 1, p. 63 - 67
[4] Patent: EP1382603, 2004, A1. Location in patent: Page 195; 196
[5] Chemical Biology and Drug Design, 2016, vol. 87, # 4, p. 569 - 574 |
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