CAS 126312-62-7

2-Propenoic acid, 2-(acetylamino)-3-[2,6-dimethyl-4-(phenylmethoxy)phenyl]-, methyl ester, (Z)-

Description:

2-Propenoic acid, 2-(acetylamino)-3-[2,6-dimethyl-4-(phenylmethoxy)phenyl]-, methyl ester, commonly known by its CAS number 126312-62-7, is an organic compound characterized by its complex structure featuring both an acrylic acid moiety and an acetylamino group. This compound is a methyl ester, indicating the presence of a methoxy group attached to the carboxylic acid part of the molecule. The presence of a phenylmethoxy group and additional methyl substituents on the aromatic ring contributes to its hydrophobic characteristics and potential for various interactions in biological systems. The (Z)-configuration suggests that the double bond in the propenoic acid portion has specific stereochemistry, which can influence its reactivity and interactions. This compound may exhibit properties typical of both esters and amides, including potential applications in pharmaceuticals or as intermediates in organic synthesis. Its unique structure may also impart specific biological activities, making it of interest in medicinal chemistry and materials science.

Formula: C₂₁H₂₃NO₄

InChI: InChI=1S/C21H23NO4/c1-14-10-18(26-13-17-8-6-5-7-9-17)11-15(2)19(14)12-20(21(24)25-4)22-16(3)23/h5-12H,13H2,1-4H3,(H,22,23)/b20-12-

InChI key: InChIKey=QXRZTMMELNVYAT-NDENLUEZSA-N

SMILES: C(=C(/C(OC)=O)\NC(C)=O)\C1=C(C)C=C(OCC2=CC=CC=C2)C=C1C

Synonyms:

• 2-Propenoic acid, 2-(acetylamino)-3-[2,6-dimethyl-4-(phenylmethoxy)phenyl]-, methyl ester, (Z)-