| Identification | Back Directory | [Name]
1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID | [CAS]
46006-36-4 | [Synonyms]
4-Carboxy-1H-benzimidazole
Benzimidazole-4-carboxylicacid
4-Benzimidazolecarboxylic acid
1H-BENZIMIDAZOLE-4-CARBOXYLIC ACID
1,3-Benzodiazole-4-carboxylic acid
benzimidazole-4-carboxylic acid HCl
1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
1H-Benzimidazole-4-carboxylicacid97%
1H-1,3-benzodiazole-4-carboxylic acid
1H-benzo[d]imidazol-7-carboxylic acid
1H-Benzimidazole-4-carboxylic acid 97%
1H-Benzimidazole-4-carboxylicacid(9CI)
1H-benzo[d]iMidazole-7-carboxylic acid
1H-benzo[d]imidazole-4-carboxylic acid | [Molecular Formula]
C8H6N2O2 | [MDL Number]
MFCD01823426 | [MOL File]
46006-36-4.mol | [Molecular Weight]
162.15 |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C | [Boiling point ]
542.5±23.0 °C(Predicted) | [density ]
1.506±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
0.17±0.10(Predicted) | [Appearance]
Off-white to light brown Solid |
| Hazard Information | Back Directory | [Synthesis]
To a 4M hydrochloric acid (20 mL) solution of formic acid (0.75 mL, 20.0 mmol) was added 2,3-diaminobenzoic acid (1.00 g, 6.6 mmol). The reaction mixture was heated at reflux temperature for 2 h and subsequently cooled to room temperature. The resulting pink precipitate was separated by filtration and dissolved in hot methanol. Decolorization was carried out by adding activated carbon and stirring for 10 min. The suspension was filtered and the solvent was evaporated under reduced pressure to afford benzimidazole-7-carboxylic acid (0.542 g, 51% yield) as white crystals with a melting point of 266-268 °C. The structure of the product was analyzed by 1H NMR (300 MHz, DMSO-d6) δ 9.64 (s, 1H), 8.11 (dd, J = 8.2, 0.9 Hz, 1H), 8.07 (dd, J = 7.6, 0.9 Hz, 1H), 7.65 (dd, J = 8.2, 7.6 Hz, 1H) and 13C NMR (75 MHz, DMSO-d6 ) δ 265.2, 142.0, 132.3, 129.3, 127.6, 125.6, 119.7, 117.6 confirmed. | [References]
[1] Journal of Medicinal Chemistry, 2000, vol. 43, # 22, p. 4084 - 4097
[2] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 14, p. 3933 - 3937
[3] Chemische Berichte, 1901, vol. 34, p. 905
[4] Patent: WO2018/42362, 2018, A1. Location in patent: Page/Page column 50 |
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