CAS 1187928-57-9

1,1-Dimethylethyl N-(3-iodo-4-methylphenyl)carbamate

Description:

1,1-Dimethylethyl N-(3-iodo-4-methylphenyl)carbamate, identified by its CAS number 1187928-57-9, is a chemical compound that features a carbamate functional group. This substance is characterized by the presence of a tert-butyl group (1,1-dimethylethyl) attached to a nitrogen atom, which is further linked to a phenyl ring substituted with an iodine atom and a methyl group. The presence of the iodine atom suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the unique properties imparted by halogen substituents. The compound's structure indicates it may exhibit specific reactivity patterns typical of carbamates, such as susceptibility to hydrolysis and potential interactions with nucleophiles. Additionally, the steric bulk of the tert-butyl group may influence its solubility and biological activity. Overall, this compound's unique structural features position it as a candidate for further research in various chemical and biological applications.

Formula: C₁₂H₁₆INO₂

InChI: InChI=1S/C12H16INO2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)

InChI key: InChIKey=DCUKVFHOJNLEGN-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=CC(I)=C(C)C=C1

Synonyms:

• (3-Iodo-4-methyl-phenyl)-carbamic acid tert-butyl ester
• 1,1-Dimethylethyl N-(3-iodo-4-methylphenyl)carbamate
• Carbamic acid, N-(3-iodo-4-methylphenyl)-, 1,1-dimethylethyl ester