CymitQuimica logo

CAS 49761-82-2

:

1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester

Description:
1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester, also known by its CAS number 49761-82-2, 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 carboxylic acid functional group that is esterified with a tert-butyl group, contributing to its stability and solubility in organic solvents. The presence of the imidazole moiety imparts biological significance, as imidazole derivatives are often involved in various biochemical processes, including enzyme catalysis and coordination chemistry. The compound is typically a white to off-white solid and may exhibit moderate to low solubility in water, depending on the pH. Its ester functionality suggests potential applications in organic synthesis and as a building block in pharmaceuticals or agrochemicals. Additionally, the tert-butyl group can enhance lipophilicity, making it useful in drug design. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H12N2O2
InChI:InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3
InChI key:InChIKey=MTBKGWHHOBJMHJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=CN=C1
Synonyms:
  • 1,1-Dimethylethyl 1H-imidazole-1-carboxylate
  • 1-(tert-Butoxycarbonyl)imidazole
  • 1-Boc-imidazole
  • 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
  • Imidazole-1-carboxylic acid, tert-butyl ester
  • N-(tert-Butoxycarbonyl)imidazole
  • tert-Butyl imidazole-1-carboxylate
  • tert-butyl 1H-imidazole-1-carboxylate
Found 7 products.