Description

2,2-Difluoroethyl 1H-imidazole-1-carboxylate (CAS No. 1980034-77-2) is a high-purity specialty chemical with the molecular formula C₆H₆F₂N₂O₂. This compound features a unique difluoroethyl group bonded to an imidazole-1-carboxylate moiety, making it a valuable intermediate for pharmaceutical and agrochemical research. Its IUPAC name, 2,2-difluoroethyl imidazole-1-carboxylate, reflects its precise structural configuration. Suitable for use in organic synthesis, this reagent is rigorously tested for consistency and purity, ensuring optimal performance in nucleophilic substitution reactions and as a building block for heterocyclic compounds. Packaged under inert conditions to maintain stability, it is ideal for researchers requiring reliable and high-quality fluorinated imidazole derivatives.

Properties

• CAS Number: 1980034-77-2
• Complexity: 166
• IUPAC Name: 2,2-difluoroethyl imidazole-1-carboxylate
• InChI: InChI=1S/C6H6F2N2O2/c7-5(8)3-12-6(11)10-2-1-9-4-10/h1-2,4-5H,3H2
• InChI Key: LDSBPOFJBICNEO-UHFFFAOYSA-N
• Exact Mass: 176.03973376
• Molecular Formula: C6H6F2N2O2
• Molecular Weight: 176.12
• SMILES: C1=CN(C=N1)C(=O)OCC(F)F
• Topological: 44.1
• Monoisotopic Mass: 176.03973376
• Synonyms: 2,2-Difluoroethyl 1H-imidazole-1-carboxylate, 1980034-77-2, 2,2-DIFLUOROETHYL IMIDAZOLE-1-CARBOXYLATE, SCHEMBL20510071, LDSBPOFJBICNEO-UHFFFAOYSA-N

Application

2,2-Difluoroethyl 1H-imidazole-1-carboxylate is primarily used as a fluorinated intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical and agrochemical applications. Its reactive imidazole-1-carboxylate group enables efficient coupling reactions, making it useful for constructing heterocyclic scaffolds. Researchers also employ it in the development of enzyme inhibitors and prodrugs due to its ability to modulate lipophilicity and metabolic stability. Additionally, it serves as a precursor for fluorinated analogs of imidazole-based compounds in medicinal chemistry studies.

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