ChemicalBook--->CAS DataBase List--->870281-83-7

870281-83-7

870281-83-7 Structure

870281-83-7 Structure
IdentificationBack Directory
[Name]

2-Fluoro-6-nitro-N-phenylbenzamide
[CAS]

870281-83-7
[Synonyms]

2-Fluoro-6-nitro-N-phenylbenzamide
[Molecular Formula]

C13H9FN2O3
[MDL Number]

MFCD16875530
[MOL File]

870281-83-7.mol
[Molecular Weight]

260.221
Chemical PropertiesBack Directory
[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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[HazardClass ]

IRRITANT
[HS Code ]

2924297099
Hazard InformationBack Directory
[Uses]

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

2-Fluoro-6-nitrobenzoic acid

385-02-4

Aniline

62-53-3

2-Fluoro-6-nitro-N-phenylbenzamide

870281-83-7

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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