2-Fluoro-5-nitroanisole Chemical Properties

Melting point:

69-71 °C

Boiling point:

270.3±20.0 °C(Predicted)

Density 

1.321±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

color 

Light Yellow to Yellow

InChI

InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

InChIKey

AZNKKZHZGDZSIF-UHFFFAOYSA-N

SMILES

C1(F)=CC=C([N+]([O-])=O)C=C1OC

Safety Information

Hazard Codes 

Xi

HS Code 

2909309090

2-Fluoro-5-nitroanisole Usage And Synthesis

Synthesis

GENERAL STEPS: Potassium carbonate (K2CO3, 5.27 g, 38.1 mmol) was added to a solution of 2-fluoro-5-nitrophenol (5.0 g, 31.84 mmol) in N,N-dimethylformamide (DMF, 50 mL), and the mixture was stirred for 15 minutes at room temperature. Subsequently, iodomethane (3 mL, 47.7 mmol) was added and the reaction mixture continued to be stirred for 2 hours at room temperature. Upon completion of the reaction, the mixture was poured into ice water and the solid product was isolated by filtration. The solid was washed well with deionized water and subsequently dried under vacuum to afford the off-white solid product 2-fluoro-5-nitroanisole (4.0 g, 73.5% yield). The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3): δ 7.89-7.84 (m, 2H), 7.25-7.17 (m, 1H), 3.98 (s, 3H).

References

[1] Patent: WO2015/104653, 2015, A1. Location in patent: Page/Page column 57
[2] Patent: US2016/368906, 2016, A1. Location in patent: Paragraph 0229
[3] Patent: US2014/57911, 2014, A1. Location in patent: Paragraph 0635

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