CAS 1150618-50-0

Methyl 1-(1-methylethyl)-1H-imidazole-4-carboxylate

Description:

Methyl 1-(1-methylethyl)-1H-imidazole-4-carboxylate, identified by its CAS number 1150618-50-0, is an organic compound characterized by its imidazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a carboxylate functional group, contributing to its potential as a building block in organic synthesis and medicinal chemistry. The presence of the isopropyl group (1-methylethyl) enhances its hydrophobic characteristics, which can influence its solubility and reactivity in various chemical environments. Methyl esters, like this compound, are often used in the synthesis of pharmaceuticals and agrochemicals due to their reactivity in nucleophilic substitution reactions. Additionally, the imidazole moiety is known for its biological significance, often found in various natural products and pharmaceuticals, suggesting potential applications in drug development. Overall, this compound's unique structural features and functional groups make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c1-6(2)10-4-7(9-5-10)8(11)12-3/h4-6H,1-3H3

InChI key: InChIKey=FPISVJZHEXEKFZ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CN(C(C)C)C=N1

Synonyms:

• Methyl 1-(1-methylethyl)-1H-imidazole-4-carboxylate
• 1H-Imidazole-4-carboxylic acid, 1-(1-methylethyl)-, methyl ester
• 1-Isopropyl-1H-imidazole-4-carboxylic acid methyl ester