ChemicalBook--->CAS DataBase List--->18761-31-4

18761-31-4

18761-31-4 Structure

18761-31-4 Structure
IdentificationBack Directory
[Name]

5-nitrobenzofuran
[CAS]

18761-31-4
[Synonyms]

5-nitrobenzofuran
Benzofuran, 5-nitro-
5-Nitro-[2,3]-benzofuran
[Molecular Formula]

C8H5NO3
[MDL Number]

MFCD00456542
[MOL File]

18761-31-4.mol
[Molecular Weight]

163.13
Chemical PropertiesBack Directory
[Melting point ]

114-115 °C
[Boiling point ]

273.1±13.0 °C(Predicted)
[density ]

1.380±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2932209090
Hazard InformationBack Directory
[Uses]

5-Nitro-1-benzofuran is a chemical reagent used in the synthesis of internal alkynes. Also used in the preparation of anti-oxidants quinolines.
[Synthesis]

Benzene, 1-fluoro-4-nitro-2-[2-(trimethylsilyl)ethynyl]-

77123-61-6

5-nitrobenzofuran

18761-31-4

Step 1c. Synthesis of 5-nitrobenzofuran (Compound 104): a mixture of (2-fluoro-5-nitrophenyl)ethynyltrimethylsilane (Compound 103, 7.30 g, 30.8 mmol), sodium acetate (10.1 g, 123 mmol), and N,N-dimethylformamide (70 mL) was stirred and reacted for 16 hours at 100 °C. After completion of the reaction, the precipitate was collected by filtration and washed with N,N-dimethylformamide. The filtrates were combined and the solvent was removed by evaporation to give the crude product. The crude product was purified by short silica gel column chromatography (eluent: ethyl acetate/petroleum ether=1/10) to afford the title compound 104 as a brown solid (3.0 g, 60% yield).

[References]

[1] Patent: US2009/76044, 2009, A1. Location in patent: Page/Page column 25
Spectrum DetailBack Directory
[Spectrum Detail]

5-nitrobenzofuran(18761-31-4)1HNMR
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