CAS 1148027-12-6

1,1-Dimethylethyl N-[(2-chlorophenyl)cyanomethyl]carbamate

Description:

1,1-Dimethylethyl N-[(2-chlorophenyl)cyanomethyl]carbamate, identified by its CAS number 1148027-12-6, is a chemical compound that belongs to the class of carbamates. This substance features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. The compound includes a dimethyl group, indicating the presence of two methyl groups attached to a tertiary carbon, contributing to its steric bulk. Additionally, it contains a 2-chlorophenyl group, which introduces a chlorine atom on a phenyl ring, enhancing its potential reactivity and biological activity. The cyanomethyl group suggests the presence of a nitrile functional group, which can influence the compound's polarity and solubility. Overall, this compound may exhibit specific biological activities, making it of interest in agricultural or pharmaceutical applications, although detailed studies would be necessary to fully understand its properties and potential uses.

Formula: C₁₃H₁₅ClN₂O₂

InChI: InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-11(8-15)9-6-4-5-7-10(9)14/h4-7,11H,1-3H3,(H,16,17)

InChI key: InChIKey=HAWLLRYDJOYVBH-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)(C#N)C1=C(Cl)C=CC=C1

Synonyms:

• Carbamic acid, N-[(2-chlorophenyl)cyanomethyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[(2-chlorophenyl)cyanomethyl]carbamate