| Identification | Back Directory | [Name]
1-[(4-Nitrophenyl)methyl]pyrazole | [CAS]
110525-57-0 | [Synonyms]
1-(4-Nitrobenzyl)pyrazole
1-(4-NITROBENZYL)-1H-PYRAZOLE
1-[(4-Nitrophenyl)methyl]pyrazole
1-(4-NITROBENZYL)-1H-PYRAZOLE, 95+%
1-[(4-nitrophenyl)Methyl]-1H-pyrazole
1H-Pyrazole, 1-[(4-nitrophenyl)methyl]- | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C10H9N3O2 | [MDL Number]
MFCD05995592 | [MOL File]
110525-57-0.mol | [Molecular Weight]
203.2 |
| Chemical Properties | Back Directory | [Boiling point ]
394.5±25.0 °C(Predicted) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
1.79±0.10(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
A mixture of 4-nitrobenzyl bromide (0.500 g, 2.31 mmol), 1H-pyrazole (0.362 g, 5.23 mmol) and potassium carbonate (0.704 g, 5.09 mmol) in acetonitrile (30 mL) was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with water and extracted with ethyl acetate (3 × 20 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered, and the filtrate concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate, gradient elution) to afford 1-[(4-nitrophenyl)methyl]pyrazole (0.380 g, 76% yield) as a white solid. Molecular weight (MW) = 203.20. 1H NMR (CDCl3, 500 MHz) δ 8.21-8.19 (m, 1H), 8.19-8.16 (m, 1H), 7.61-7.57 (m, 1H), 7.48-7.44 (m, 1H), 7.32-7.28 (m, 2H), 6.35 (t, J = 2.1 Hz. 1H), 5.44 (s, 2H); APCI MS m/z 204 [M + H]+. | [References]
[1] Organic Preparations and Procedures International, 2000, vol. 32, # 4, p. 385 - 390
[2] Patent: WO2014/66659, 2014, A1. Location in patent: Paragraph 0824 |
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