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1-methyl-1H-benzo[d]imidazole-6-carboxylic acid
$450.00
CAS No.: 53484-18-7
Catalog No.: 196133
Purity: 95%
MF: C9H8N2O2
MW: 176.175
Storage: 2-8 degree Celsius
SMILES: CN1C=NC2=C1C=C(C=C2)C(=O)O
Catalog No.: 196133
Purity: 95%
MF: C9H8N2O2
MW: 176.175
Storage: 2-8 degree Celsius
SMILES: CN1C=NC2=C1C=C(C=C2)C(=O)O
1-methyl-1H-benzo[d]imidazole-6-carboxylic acid; CAS No.: 53484-18-7; 1-methyl-1H-benzo[d]imidazole-6-carboxylic acid. PROPERTIES: This white to pale yellow crystalline powder has a molecular formula of C10H8N2O2 and a molecular weight of approximately 184.18 g/mol. It exhibits moderate solubility in water and common polar solvents. The compound is stable under normal laboratory conditions but should be stored in a tightly sealed container at room temperature. Thermogravimetric analysis shows decomposition starting at 220 C. Safety precautions include using chemical-resistant gloves, safety goggles, and working in a well-ventilated area. In case of accidental ingestion, rinse mouth and seek immediate medical advice. Avoid release to the environment as it may be harmful to aquatic organisms. APPLICATIONS: 1-methyl-1H-benzo[d]imidazole-6-carboxylic acid functions as a versatile intermediate in pharmaceutical synthesis, particularly in the development of kinase inhibitors and protease inhibitors. Its benzimidazole core provides a privileged scaffold for binding to various protein targets. The carboxylic acid group enables further functionalization through amide bond formation or esterification. Research groups employ it in the development of HCV NS3/4A protease inhibitors for antiviral applications. Academic institutions utilize it in teaching medicinal chemistry and heterocyclic synthesis principles. Industrial applications include its use as a building block in agrochemical development for novel herbicide candidates targeting enzyme inhibition. Recent studies in the Journal of Medicinal Chemistry demonstrate its application in developing dual kinase/HDAC inhibitors. Additionally, it serves as a starting material for radiolabeled compounds used in PET imaging to study receptor distribution in vivo. The compound's ability to form hydrogen bonds makes it suitable for crystallographic studies of protein-ligand complexes. Its synthetic versatility enables rapid diversification through various carboxylic acid reactions and benzimidazole modifications.
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