CAS 1354651-38-9

1,1-Dimethylethyl N-[4-(3-methylphenyl)-4-oxobutyl]carbamate

Description:

1,1-Dimethylethyl N-[4-(3-methylphenyl)-4-oxobutyl]carbamate, identified by its CAS number 1354651-38-9, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a tert-butyl group, which contributes to its steric bulk, and a carbamate functional group that is known for its reactivity and ability to form hydrogen bonds. The presence of a 4-(3-methylphenyl)-4-oxobutyl moiety indicates that it has aromatic characteristics, which may influence its solubility and interaction with biological systems. Typically, compounds of this nature may exhibit properties such as moderate to high lipophilicity, which can affect their bioavailability and environmental persistence. Additionally, the presence of the ketone group in the side chain may impart specific reactivity, making it of interest in various chemical syntheses or biological applications. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or environmental impact.

Formula: C₁₆H₂₃NO₃

InChI: InChI=1S/C16H23NO3/c1-12-7-5-8-13(11-12)14(18)9-6-10-17-15(19)20-16(2,3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)

InChI key: InChIKey=HVYNYTOGJAAJEF-UHFFFAOYSA-N

SMILES: C(CCCNC(OC(C)(C)C)=O)(=O)C1=CC(C)=CC=C1

Synonyms:

• Carbamic acid, N-[4-(3-methylphenyl)-4-oxobutyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[4-(3-methylphenyl)-4-oxobutyl]carbamate