CAS 951891-94-4

2,4,5-Trimethoxy-ε-oxobenzenehexanoic acid

Description:

2,4,5-Trimethoxy-ε-oxobenzenehexanoic acid, identified by its CAS number 951891-94-4, is a synthetic organic compound characterized by its unique molecular structure, which includes a benzene ring substituted with three methoxy groups and a hexanoic acid chain. This compound exhibits properties typical of both aromatic and aliphatic compounds, contributing to its potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of methoxy groups enhances its solubility in organic solvents and may influence its reactivity and biological activity. The ε-oxobenzene moiety suggests potential for keto-enol tautomerism, which can affect its stability and reactivity. Additionally, the hexanoic acid portion may impart fatty acid-like characteristics, influencing its interactions with biological membranes. Overall, 2,4,5-Trimethoxy-ε-oxobenzenehexanoic acid is a compound of interest for further research, particularly in the context of its synthesis, reactivity, and potential applications in medicinal chemistry.

Formula: C₁₅H₂₀O₆

InChI: InChI=1S/C15H20O6/c1-19-12-9-14(21-3)13(20-2)8-10(12)11(16)6-4-5-7-15(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)

InChI key: InChIKey=GJZMFGNMNXPCBV-UHFFFAOYSA-N

SMILES: C(CCCCC(O)=O)(=O)C1=C(OC)C=C(OC)C(OC)=C1

Synonyms:

• Benzenehexanoic acid, 2,4,5-trimethoxy-ε-oxo-
• 2,4,5-Trimethoxy-ε-oxobenzenehexanoic acid