CAS 1057651-79-2

1,1-Dimethylethyl N-[2-(aminomethyl)-4-fluorophenyl]carbamate

Description:

1,1-Dimethylethyl N-[2-(aminomethyl)-4-fluorophenyl]carbamate, identified by its CAS number 1057651-79-2, is a chemical compound that belongs to the class of carbamates. This substance features a tert-butyl group, which contributes to its steric bulk, and an aminomethyl group attached to a fluorinated phenyl ring, indicating potential biological activity. The presence of the fluorine atom suggests enhanced lipophilicity and may influence the compound's interaction with biological targets. As a carbamate, it may exhibit properties typical of this functional group, such as being a potential inhibitor of certain enzymes or acting as a pesticide or herbicide. The compound's structure implies it could be of interest in medicinal chemistry or agricultural applications, particularly in the development of pharmaceuticals or agrochemicals. However, specific physical and chemical properties such as solubility, melting point, and stability would require empirical data for precise characterization. Safety and handling considerations should also be taken into account, as with any chemical substance.

Formula: C₁₂H₁₇FN₂O₂

InChI: InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)

InChI key: InChIKey=GCDZIRGTBWEMCM-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=C(CN)C=C(F)C=C1

Synonyms:

• [2-(Aminomethyl)-4-fluorophenyl]carbamic acid tert-butyl ester
• tert-Butyl [2-(aminomethyl)-4-fluorophenyl]carbamate
• Carbamic acid, N-[2-(aminomethyl)-4-fluorophenyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[2-(aminomethyl)-4-fluorophenyl]carbamate