Description

tert-Butyl 1H-benzo[d]imidazole-1-carboxylate (CAS No. 127119-07-7) is a high-purity organic compound with the molecular formula C₁₂H₁₄N₂O₂, widely utilized in pharmaceutical and chemical research. This compound features a benzimidazole core protected by a tert-butoxycarbonyl (Boc) group, making it a valuable intermediate in peptide synthesis, medicinal chemistry, and heterocyclic compound development. With a molecular weight of 218.25 g/mol, it exhibits excellent stability under standard conditions and is compatible with a range of organic solvents. Ideal for researchers seeking reliable building blocks for drug discovery, this product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications.

Properties

• CAS Number: 127119-07-7
• Complexity: 273
• IUPAC Name: tert-butyl benzimidazole-1-carboxylate
• InChI: InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-13-9-6-4-5-7-10(9)14/h4-8H,1-3H3
• InChI Key: CROWJIMGVQLMPG-UHFFFAOYSA-N
• Exact Mass: 218.105527694
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218.25
• SMILES: CC(C)(C)OC(=O)N1C=NC2=CC=CC=C21
• Topological: 44.1
• Monoisotopic Mass: 218.105527694
• Synonyms: 127119-07-7, tert-Butyl 1H-benzo[d]imidazole-1-carboxylate, tert-Butyl benzo[d]imidazole-1-carboxylate, tert-butyl benzimidazole-1-carboxylate, 1H-Benzimidazole-1-carboxylic acid, 1,1-dimethylethyl ester, tert-butyl 1H-1,3-benzodiazole-1-carboxylate, 1-Boc-Benzimidazole, MFCD13176729, tert-Butyl 1H-benzimidazole-1-carboxylate, 1-Boc-benzo[d]imidazole, tert-Butyl1H-benzo[d]imidazole-1-carboxylate, SCHEMBL135567, SCHEMBL9399901, DTXSID20560898, AKOS015854182, BS-20557, CS-0211767

Application

tert-Butyl 1H-benzo[d]imidazole-1-carboxylate serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of benzimidazole-based pharmaceuticals. Its Boc-protected structure enables selective deprotection for further functionalization in peptide coupling reactions. Researchers also employ it in the preparation of corrosion inhibitors and agrochemicals due to its heterocyclic reactivity. This compound is particularly useful in combinatorial chemistry for generating diverse molecular libraries.

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