Description

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS No. 910122-42-8) is a high-purity benzimidazole derivative with the molecular formula C₉H₉N₃O₂. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, featuring both an amino and carboxylate functional group, makes it a valuable precursor for heterocyclic chemistry and drug discovery. Available in >98% purity, this product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and reliability for research applications. Suitable for use in medicinal chemistry, combinatorial libraries, and as a scaffold for bioactive molecule design.

Properties

• CAS Number: 910122-42-8
• Complexity: 234
• IUPAC Name: methyl 2-amino-1H-benzimidazole-4-carboxylate
• InChI: InChI=1S/C9H9N3O2/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6/h2-4H,1H3,(H3,10,11,12)
• InChI Key: SAWDEISHFZINBK-UHFFFAOYSA-N
• Exact Mass: 191.069476538
• Molecular Formula: C9H9N3O2
• Molecular Weight: 191.19
• SMILES: COC(=O)C1=C2C(=CC=C1)NC(=N2)N
• Topological: 81
• Monoisotopic Mass: 191.069476538
• Synonyms: 910122-42-8, methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate, Methyl 2-Amino-1H-benzoimidazole-4-carboxylate, Methyl 2-amino-1H-benzimidazole-4-carboxylate, MFCD08436207, Methyl2-Amino-1H-benzoimidazole-4-carboxylate, methyl 2-amino-1H-1,3-benzodiazole-4-carboxylate, SCHEMBL1202057, SCHEMBL1202374, DTXSID80647093, SAWDEISHFZINBK-UHFFFAOYSA-N, AKOS006288397, AKOS017405252, AS-32046, SY015529, DB-355439, CS-0044485, EN300-149109, 2-Amino-1h-benzimidazole-7-carboxylic acid methyl ester, 2-amino-1H-benzoimidazole-4-carboxylic acid methyl ester, 2-amino-3H-benzoimidazole-4-carboxylic acid methyl ester

Application

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate is widely utilized as a key building block in the synthesis of benzimidazole-based pharmaceuticals, including kinase inhibitors and antimicrobial agents. Its reactive sites enable facile derivatization for structure-activity relationship (SAR) studies. Researchers also employ this compound in the development of fluorescent probes and coordination complexes due to its chelating properties. Additionally, it finds use in agrochemical research for designing novel pesticides and herbicides.

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