CAS 952182-99-9

Methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate

Description:

Methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate, identified by its CAS number 952182-99-9, is an organic compound characterized by its complex structure, which includes a benzodioxepin moiety and a benzoate group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions, including electrophilic substitutions. Its molecular structure suggests it may possess interesting pharmacological properties, potentially acting as a bioactive agent in medicinal chemistry. The presence of the benzodioxepin ring may contribute to its biological activity, as such structures are often found in compounds with therapeutic effects. Additionally, the methyl ester functional group can influence its solubility and reactivity, making it a candidate for further studies in drug development or synthetic applications. Overall, Methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate represents a unique chemical entity with potential implications in various fields, including pharmaceuticals and organic synthesis.

Formula: C₁₇H₁₆O₄

InChI: InChI=1S/C17H16O4/c1-19-17(18)13-5-3-12(4-6-13)14-7-8-15-16(11-14)21-10-2-9-20-15/h3-8,11H,2,9-10H2,1H3

InChI key: InChIKey=MOGKNGBKMKLEPU-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC=C(C=2C=C3C(=CC2)OCCCO3)C=C1

Synonyms:

• Methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate
• Benzoic acid, 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-, methyl ester