CAS 75716-83-5

1,1-Dimethylethyl α-oxo-1H-imidazole-1-acetate

Description:

1,1-Dimethylethyl α-oxo-1H-imidazole-1-acetate, with the CAS number 75716-83-5, is a chemical compound that features an imidazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of an α-oxo group and an acetate moiety, contributing to its reactivity and potential applications in various chemical reactions. It is typically a white to off-white solid, soluble in polar organic solvents, and may exhibit moderate stability under standard conditions. The presence of the dimethyl group enhances its steric hindrance, which can influence its reactivity and interactions with other molecules. This compound may be of interest in medicinal chemistry and synthetic organic chemistry due to its structural features, which could facilitate the development of novel pharmaceuticals or agrochemicals. As with many chemical substances, proper handling and safety precautions should be observed, as it may possess specific hazards or toxicity profiles that require attention in laboratory settings.

Formula: C₉H₁₂N₂O₃

InChI: InChI=1S/C9H12N2O3/c1-9(2,3)14-8(13)7(12)11-5-4-10-6-11/h4-6H,1-3H3

InChI key: InChIKey=OADVCRKWTJARKI-UHFFFAOYSA-N

SMILES: C(C(OC(C)(C)C)=O)(=O)N1C=CN=C1

Synonyms:

• tert-Butyl-2-(1H-imidazol-1-yl)-2-oxoacetate
• 1H-Imidazole-1-acetic acid, α-oxo-, 1,1-dimethylethyl ester
• Imidazol-1-yloxoacetic acid tert-butyl ester
• 1,1-Dimethylethyl α-oxo-1H-imidazole-1-acetate