CAS 1373232-81-5

1,3-Dimethyl 2-[2-amino-4-(methylsulfonyl)phenyl]propanedioate

Description:

1,3-Dimethyl 2-[2-amino-4-(methylsulfonyl)phenyl]propanedioate is a chemical compound characterized by its complex structure, which includes a propanedioate backbone substituted with a dimethyl group and an amino group attached to a phenyl ring that also contains a methylsulfonyl group. This compound is likely to exhibit properties typical of both amino acids and sulfonyl-containing compounds, potentially influencing its solubility, reactivity, and biological activity. The presence of the methylsulfonyl group may enhance its polar characteristics, making it more soluble in polar solvents. Additionally, the amino group can participate in hydrogen bonding, which may affect its interaction with biological targets. The compound's structure suggests potential applications in pharmaceuticals or as a biochemical probe, although specific biological activities would require further investigation. As with many organic compounds, safety and handling precautions should be observed, particularly due to the presence of sulfonyl and amino functional groups, which can influence toxicity and reactivity.

Formula: C₁₂H₁₅NO₆S

InChI: InChI=1S/C12H15NO6S/c1-18-11(14)10(12(15)19-2)8-5-4-7(6-9(8)13)20(3,16)17/h4-6,10H,13H2,1-3H3

InChI key: InChIKey=ZKBQKTBLEZFORV-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C(OC)=O)C1=C(N)C=C(S(C)(=O)=O)C=C1

Synonyms:

• Propanedioic acid, 2-[2-amino-4-(methylsulfonyl)phenyl]-, 1,3-dimethyl ester
• 1,3-Dimethyl 2-[2-amino-4-(methylsulfonyl)phenyl]propanedioate