2-Fluoro-6-nitro-N-phenylbenzamide Chemical Properties

Melting point:

163-165℃

Boiling point:

342.4±32.0 °C(Predicted)

Density 

1.411±0.06 g/cm3 (20℃ 760 Torr)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

11.57±0.70(Predicted)

CAS DataBase Reference

870281-83-7

Safety Information

Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

26

HazardClass 

IRRITANT

HS Code 

2924297099

2-Fluoro-6-nitro-N-phenylbenzamide Usage And Synthesis

Uses

2-Fluoro-6-nitro-N-phenylbenzamide is an intermediate used in the synthesis of an antitumor agent Idelalisib I.

Synthesis

1. In a 100 mL reaction flask, 2-fluoro-6-nitrobenzoic acid (9.25 g, 0.05 mol) and carbonyldiimidazole (CDI) (8.9 g, 0.055 mol) were dissolved in 60 mL of DMF, and the reaction was stirred for 1 hr at 25 °C. Subsequently, aniline (5.6 g, 0.06 mol) was added to the reaction system and the reaction continued to be stirred at 25 °C for 5 hours. After completion of the reaction, the reaction solution was concentrated to dryness and extracted by adding 100 mL of water and 100 mL of dichloromethane to separate the organic phase. The dichloromethane layer was washed twice with water, and the combined organic layers were washed twice with saturated brine and dried over anhydrous sodium sulfate. Finally, the organic phase was concentrated under reduced pressure to afford 2-fluoro-6-nitro-N-phenylbenzamide (12.9 g) in 98.5% yield and 98% purity.

References

[1] Patent: CN104130261, 2016, B. Location in patent: Paragraph 0034; 0035; 0036
[2] Patent: CN106146352, 2016, A. Location in patent: Paragraph 0024; 0025
[3] Patent: CN106146411, 2016, A. Location in patent: Paragraph 0023; 0024; 0025
[4] Patent: WO2016/108206, 2016, A2. Location in patent: Page/Page column 46
[5] Patent: EP3101020, 2016, A1. Location in patent: Paragraph 0084; 0085

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