CAS 132691-44-2

Methyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate

Description:

Methyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate, identified by its CAS number 132691-44-2, is a chemical compound characterized by its complex structure, which includes a methyl ester functional group and an amino group. This compound features a propanoate moiety linked to a benzene ring, which is further substituted with an amino group that is protected by a dimethylethoxycarbonyl group. The presence of these functional groups suggests that it may exhibit properties typical of both esters and amines, such as potential reactivity in nucleophilic substitution reactions and the ability to form hydrogen bonds. Its molecular structure indicates that it may be soluble in organic solvents, and its stability can be influenced by the steric hindrance provided by the dimethylethoxy group. This compound may find applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, due to its functional versatility. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical determination or reference to detailed chemical databases.

Formula: C₁₆H₂₃NO₄

InChI: InChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-11-13-7-5-12(6-8-13)9-10-14(18)20-4/h5-8H,9-11H2,1-4H3,(H,17,19)

InChI key: InChIKey=XTSDOVYZEISZEF-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate
• Benzenepropanoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester