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58546-89-7

58546-89-7 Structure

58546-89-7 Structure
IdentificationBack Directory
[Name]

1-BENZOFURAN-5-AMINE
[CAS]

58546-89-7
[Synonyms]

5-BenzofuranaMine
Benzofuran-5-aMine
5-amino Benzofuran
5-Amino-1-benzofuran
5-Aminobenzo[b]furan
1-BENZOFURAN-5-AMINE
Vilazodone Impurity 11
5-Aminobenzo[b]furan97%
5-Amino-1-benzofuran 97%
5-Aminobenzo[b]furan 97%
Vilazidone amino benzofuron
Vilazodone Impurity 11 (5-Amino Benzofuran)
1-Benzofuran-5-amine, Benzo[b]furan-5-amine
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD04125391
[MOL File]

58546-89-7.mol
[Molecular Weight]

133.15
Chemical PropertiesBack Directory
[Boiling point ]

259.8±13.0 °C(Predicted)
[density ]

1.225±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

liquid
[pka]

3.87±0.10(Predicted)
[color ]

Orange
[InChI]

InChI=1S/C8H7NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
[InChIKey]

GMOLCSICTCPZCU-UHFFFAOYSA-N
[SMILES]

O1C2=CC=C(N)C=C2C=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Note ]

Harmful
[HS Code ]

2932990090
Hazard InformationBack Directory
[Uses]

5-Benzofuranamine acts as a reagent in the synthesis of substituted pyrimidines as multi-targeted receptor tyrosine kinase and microtubule inhibitors as potential antitumor agents.
[Definition]

ChEBI: 1-Benzofuran-5-amine is a member of benzofurans.
[Synthesis]

5-nitrobenzofuran

18761-31-4

Iron

7439-89-6

1-BENZOFURAN-5-AMINE

58546-89-7

Step 1. 5-Nitrobenzofuran (Compound 104, 1.89 g, 11.63 mmol), iron powder (6.5 g, 116 mmol), 36.5% hydrochloric acid (1 mL), ethanol (30 mL), and water (6 mL) were mixed, stirred, and heated to 100 °C, and the reaction was maintained for 3 hours. After completion of the reaction, the precipitate was filtered and washed with ethanol. The filtrates were combined and the solvent was removed by evaporation to give a residue. The residue was dissolved in dichloromethane (50 mL) and the organic layer was washed sequentially with aqueous sodium bicarbonate (20 mL x 2) and brine (20 mL x 1), dried over magnesium sulfate, filtered and the solvent was evaporated to afford 1-benzofuran-5-amine (Compound 105) as a brown solid (0.8 g, 51% yield).LC-MS: 134 [M + 1]+; 1H NMR ( DMSO-d6): δ 4.8 (s, 2H), 6.57 (m, 1H), 6.67 (m, 1H), 6.69 (m, 1H), 7.21 (d, J = 9.3 Hz, 1H), 7.74 (d, J = 2.4 Hz, 1H).

[References]

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

1-BENZOFURAN-5-AMINE(58546-89-7)1HNMR
1-BENZOFURAN-5-AMINE(58546-89-7)FT-IR
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