CAS 1211572-03-0

1,1-Dimethylethyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate, identified by its CAS number 1211572-03-0, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a dimethyl group attached to a tert-butyl moiety, which contributes to its steric bulk. The presence of a hydroxymethyl group on a phenyl ring indicates potential for hydrogen bonding and reactivity, making it of interest in various chemical applications. The carbamate functional group suggests that it may exhibit properties typical of this class, such as being a potential inhibitor or a substrate in enzymatic reactions. Additionally, the compound may possess moderate to high lipophilicity due to its hydrophobic tert-butyl group, which can influence its solubility and bioavailability in biological systems. Overall, this compound's unique structural features may render it useful in pharmaceutical or agrochemical contexts, although specific applications would depend on further research and characterization.

Formula: C₁₄H₂₁NO₃

InChI: InChI=1S/C14H21NO3/c1-10(15-13(17)18-14(2,3)4)12-7-5-11(9-16)6-8-12/h5-8,10,16H,9H2,1-4H3,(H,15,17)

InChI key: InChIKey=IKDSQAZPZFBIIK-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)(C)C1=CC=C(CO)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
• tert-Butyl [1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
• Carbamic acid, N-[1-[4-(hydroxymethyl)phenyl]ethyl]-, 1,1-dimethylethyl ester