| Identification | Back Directory | [Name]
1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID | [CAS]
20572-01-4 | [Synonyms]
CHEMBRDG-BB 4400229
RARECHEM AX KI 0001
1H-Benzimidazole-2-carboxylicac
1-methyl-2-benzimidazolecarboxylic acid
1-METHYLBENZIMIDAZOLE-2-CARBOXYLIC ACID
1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID
1-METHYL-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID
1H-Benzimidazole-2-carboxylic acid, 1-methyl-
1-Methyl-1H-1,3-benzodiazole-2-carboxylic acid
1-Methyl-1H-benzo[d]iMidazole-2-carboxylic acid
1H-Benzimidazole-2-carboxylicacid,1-methyl-(9CI) | [Molecular Formula]
C9H8N2O2 | [MDL Number]
MFCD01836869 | [MOL File]
20572-01-4.mol | [Molecular Weight]
176.17 |
| Chemical Properties | Back Directory | [Melting point ]
146.5 | [Boiling point ]
403.6±28.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
1.19±0.30(Predicted) | [InChI]
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13) | [InChIKey]
YHHVGKXAIOVFOH-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)N(C)C2=CC=CC=C2N=1 |
| Hazard Information | Back Directory | [Synthesis]
1. Methyl 1-methyl-1H-benzimidazole-2-carboxylate (190 mg, 1.0 mmol) and NaOH (80 mg, 2.0 mmol) in a mixture of MeOH/H2O (1:1, 20 mL) were stirred and reacted for 1 hr at 50°C. The reaction was carried out with the help of a stirring device.
2. Upon completion of the reaction, the mixture was concentrated and then diluted with 15 mL of water.
3. The pH of the diluted solution was adjusted to 2 with concentrated hydrochloric acid, at which time a precipitate was formed. 4.
4. The precipitate was collected by filtration, washed with water and dried to give 1-methyl-1H-benzimidazole-2-carboxylic acid (176 mg, 1.0 mmol, 100% yield).
5. The product was analyzed by ESI-MS and the (M + 1) peak was 177, which corresponded to the calculated value of C9H8N2O2 (176). | [References]
[1] Patent: WO2011/143365, 2011, A1. Location in patent: Page/Page column 171
[2] Patent: WO2016/73847, 2016, A2. Location in patent: Paragraph 00189 |
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