CAS 1347815-01-3

1,1-Dimethylethyl 4,5-dicyano-2-(2-pyridinyl)-1H-imidazole-1-carboxylate

Description:

1,1-Dimethylethyl 4,5-dicyano-2-(2-pyridinyl)-1H-imidazole-1-carboxylate, identified by its CAS number 1347815-01-3, is a chemical compound that features a complex structure characterized by the presence of an imidazole ring, cyano groups, and a pyridine moiety. This compound is typically classified as a heterocyclic organic compound due to the inclusion of nitrogen atoms in its ring structure. The presence of cyano groups contributes to its potential reactivity and may influence its electronic properties, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which can affect its solubility and bioavailability. Additionally, the imidazole and pyridine functionalities may impart specific biological activities, making this compound a candidate for further research in medicinal chemistry. Overall, its unique structural features suggest potential utility in diverse chemical contexts, although specific applications would depend on further empirical studies.

Formula: C₁₅H₁₃N₅O₂

InChI: InChI=1S/C15H13N5O2/c1-15(2,3)22-14(21)20-12(9-17)11(8-16)19-13(20)10-6-4-5-7-18-10/h4-7H,1-3H3

InChI key: InChIKey=OOHIBQVWUXPAKV-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(=NC(C#N)=C1C#N)C2=CC=CC=N2

Synonyms:

• 1,1-Dimethylethyl 4,5-dicyano-2-(2-pyridinyl)-1H-imidazole-1-carboxylate
• 1H-Imidazole-1-carboxylic acid, 4,5-dicyano-2-(2-pyridinyl)-, 1,1-dimethylethyl ester