Methyl 4-cyano-2-fluoro-5-nitrobenzoate Chemical Properties

Boiling point:

397.3±42.0 °C(Predicted)

Density 

1.46±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

Appearance

White to yellow Solid

Methyl 4-cyano-2-fluoro-5-nitrobenzoate Usage And Synthesis

Synthesis

Step 3: To a reaction flask containing methyl 4-cyano-2-fluorobenzoate (1.61 g, 9.0 mmol), fuming nitric acid (15 mL) was slowly added, followed by dropwise addition of concentrated sulfuric acid (4 mL). The reaction mixture was stirred at 45 °C for 15 h and cooled to room temperature upon completion. The reaction solution was slowly poured into ice water and the aqueous phase was extracted with ethyl acetate (2×). The organic phases were combined, washed with saturated sodium bicarbonate solution, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to afford the target product methyl 4-cyano-2-fluoro-5-nitrobenzoate (859 mg, 3.83 mmol, 43% yield). The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 8.95 (d, 1H), 7.72 (d, 1H), 4.04 (s, 3H); the result of mass spectrometry (EI) analysis was consistent with the molecular weight of C9H5FN2O4: 224 (M+).

References

[1] Patent: WO2009/55077, 2009, A1. Location in patent: Page/Page column 447-448

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