| Identification | Back Directory | [Name]
1-Methyl-1H-benzimidazole-5-carboxylic acid | [CAS]
53484-17-6 | [Synonyms]
5-Carboxy-1-methyl-1H-benzimidazole
1-Methylbenzodiazole-5-carboxylic acid
1-methylbenzimidazole-5-carboxylic acid
1-Methyl-1H-benzimidazole-5-carboxylicacid97%
1H-Benzimidazole-5-carboxylic acid, 1-methyl-
1-methyl-1H-benzo[d]imidazol-5-carboxylic acid
1-Methyl-1H-benzimidazole-5-carboxylic acid 97%
1-methyl-1H-benzo[d]imidazole-5-carboxylic acid
1-Methyl-1H-1,3-benzimidazole-5-carboxylic acid
1H-Benzimidazole-5-carboxylicacid,1-methyl-(9CI) | [Molecular Formula]
C9H8N2O2 | [MDL Number]
MFCD06809665 | [MOL File]
53484-17-6.mol | [Molecular Weight]
176.18 |
| Chemical Properties | Back Directory | [Melting point ]
>300(dec.) | [Boiling point ]
411.1±37.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
2.92±0.30(Predicted) | [Appearance]
Light brown to gray Solid | [InChI]
InChI=1S/C9H8N2O2/c1-11-5-10-7-4-6(9(12)13)2-3-8(7)11/h2-5H,1H3,(H,12,13) | [InChIKey]
KAJLCBKTWRUQOI-UHFFFAOYSA-N | [SMILES]
C1N(C)C2=CC=C(C(O)=O)C=C2N=1 |
| Hazard Information | Back Directory | [Synthesis]
Step 3: 3-amino-4-(methylamino)benzoic acid (280,678 mg, 4.1 mmol) was dissolved in 50% formic acid aqueous solution (anhydrous solvent was used if the protoate was used), and the reaction was stirred at 85°C for 13 hours. After completion of the reaction, the reaction solution was concentrated, the residue was redissolved in water and freeze-dried to obtain 1-methyl-1H-benzo[d]imidazole-5-carboxylic acid (281,712 mg, 99% yield). The product was characterized as follows: 1H NMR (400.2 MHz, DMSO) δ (ppm): 12.9 (br s, 1H), 8.80 (s, 1H), 8.26 (d, J = 1.6 Hz, 1H), 7.96 (dd, J = 1.6, 8.6 Hz, 1H), 7.79 (d, J = 8.6 Hz, 1H), 3.95 (s, 3H). 3H). MS: calculated value 176.2; measured value 177.1 (M + H). | [References]
[1] Patent: WO2005/30704, 2005, A1. Location in patent: Page/Page column 244-245
[2] Patent: WO2013/97773, 2013, A1. Location in patent: Paragraph 0293
[3] Patent: WO2004/26829, 2004, A2. Location in patent: Page/Page column 77 |
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