CAS 1220039-39-3

1,1-Dimethylethyl 4-(aminomethyl)benzenepropanoate

Description:

1,1-Dimethylethyl 4-(aminomethyl)benzenepropanoate, identified by its CAS number 1220039-39-3, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a branched alkyl group (1,1-dimethylethyl) that contributes to its steric hindrance, potentially influencing its reactivity and solubility. The presence of the aminomethyl group attached to a benzene ring suggests that it may exhibit basic properties and could participate in various chemical reactions, such as nucleophilic substitutions. The propanoate moiety indicates that it is derived from propanoic acid, which may impart certain physical properties, such as volatility and solubility in organic solvents. Overall, the structural features of this compound suggest potential applications in organic synthesis, pharmaceuticals, or as an intermediate in chemical manufacturing, although specific applications would depend on further research into its properties and reactivity.

Formula: C₁₄H₂₁NO₂

InChI: InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)9-8-11-4-6-12(10-15)7-5-11/h4-7H,8-10,15H2,1-3H3

InChI key: InChIKey=BVKODMCKWPKPCA-UHFFFAOYSA-N

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

Synonyms:

• Benzenepropanoic acid, 4-(aminomethyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(aminomethyl)benzenepropanoate