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ChemicalBook--->CAS DataBase List--->13676-49-8

13676-49-8

13676-49-8 Structure

13676-49-8 Structure
IdentificationBack Directory
[Name]

2-(3-aminophenyl)-5-aminobenzimidazole
[CAS]

13676-49-8
[Synonyms]

2,3,5-ABA
2-(3-aminophenyl)-5-aminobenzimidazole
2-(3-aminophenyl)-3H-benzimidazol-5-amine
1H-Benzimidazol-5-amine, 2-(3-aminophenyl)-
1H-Benzimidazol-6-amine, 2-(3-aminophenyl)-
2-(3-Aminophenyl)-1H-benzo[d]imidazol-6-amine
[EINECS(EC#)]

206-141-6
[Molecular Formula]

C13H12N4
[MDL Number]

MFCD00443930
[MOL File]

13676-49-8.mol
[Molecular Weight]

224.26
Chemical PropertiesBack Directory
[Boiling point ]

562.7±56.0 °C(Predicted)
[density ]

1.359±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.89±0.10(Predicted)
[color ]

Pale Beige to Pale Brown
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-aminophenyl)-5-aminobenzimidazole(13676-49-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Benzamide, N-(2,4-dinitrophenyl)-3-nitro-

59403-35-9

2-(3-aminophenyl)-5-aminobenzimidazole

13676-49-8

The general procedure for the synthesis of 2-(3-aminophenyl)-5-aminobenzimidazole using the compound (CAS: 59403-35-9) as starting material was as follows: the prepared amide, 200 mL of acetic acid and 0.20 g of 5% Pd/C catalyst were added to a 500 mL autoclave. The reaction was carried out at 110 °C and 6 MPa hydrogen pressure for 4 hours. Upon completion of the reaction, the autoclave was cooled and filtered to recover the catalyst. About 150 mL of solvent was removed by distillation of the filtrate at atmospheric pressure under nitrogen protection. Subsequently, 100 mL of pure water was added to the remaining solution and the mixture was cooled to 20 °C. Upon filtration, 16.2 g of the target product 2-(3-aminophenyl)-5-aminobenzimidazole was obtained in 96.2% purity and 90.5% yield by HPLC.

[References]

[1] Patent: CN107474016, 2017, A. Location in patent: Paragraph 0019-0020
[2] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 3, p. 711
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