1-[(4-Nitrophenyl)methyl]pyrazole Chemical Properties

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)

1-[(4-Nitrophenyl)methyl]pyrazole Usage And Synthesis

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

1-[(4-Nitrophenyl)methyl]pyrazole(110525-57-0)Related Product Information

• Kresoxim-methyl
• Tolyltriazole
• Pyraclostrobin
• Zolpidem tartrate
• 5-Methyl-1H-benzotriazole
• Methyl acetate
• Tribenuron methyl
• METSULFURON METHYL
• Methyl salicylate
• 1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE
• 5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
• Pyrazole
• Thiophanate-methyl
• Methyl
• Methyl bromide
• Parathion-methyl
• Zolpidem
• nitrotoluene