CAS 113520-37-9

Ethyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzeneacetate

Description:

Ethyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzeneacetate, identified by its CAS number 113520-37-9, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group and an aromatic ring. This compound features a benzeneacetate moiety, indicating it possesses both aromatic and aliphatic characteristics. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it has sterically hindered properties, which can influence its reactivity and interactions with other molecules. Ethyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzeneacetate is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic components, while the ester group may impart some degree of polarity. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential as an intermediate in various chemical reactions. Its specific reactivity and applications would depend on the functional groups present and the overall molecular structure.

Formula: C₁₆H₂₃NO₄

InChI: InChI=1S/C16H23NO4/c1-5-20-14(18)10-12-6-8-13(9-7-12)11-17-15(19)21-16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,19)

InChI key: InChIKey=ZPSJKCHZJFRHJD-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C1=CC=C(CNC(OC(C)(C)C)=O)C=C1

Synonyms:

• Benzeneacetic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, ethyl ester
• Ethyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzeneacetate