CAS 1263213-65-5

Methyl 5-bromo-2,3-dihydro-3,3-dimethyl-2-oxo-1H-indole-1-acetate

Description:

Methyl 5-bromo-2,3-dihydro-3,3-dimethyl-2-oxo-1H-indole-1-acetate is a chemical compound characterized by its complex indole structure, which includes a bromine substituent and an acetate group. This compound features a dihydroindole framework, indicating it has a saturated ring system, and the presence of a ketone functional group contributes to its reactivity and potential applications in organic synthesis. The methyl groups attached to the indole structure enhance its lipophilicity, which may influence its biological activity. The bromine atom can serve as a site for further chemical modifications, making it a versatile intermediate in synthetic chemistry. Additionally, the acetate moiety can participate in esterification reactions, further expanding its utility in various chemical transformations. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry and material science, although specific biological activities and properties would require further investigation.

Formula: C₁₃H₁₄BrNO₃

InChI: InChI=1S/C13H14BrNO3/c1-13(2)9-6-8(14)4-5-10(9)15(12(13)17)7-11(16)18-3/h4-6H,7H2,1-3H3

InChI key: InChIKey=YOXBSYDJZUTCQU-UHFFFAOYSA-N

SMILES: C(C(OC)=O)N1C=2C(C(C)(C)C1=O)=CC(Br)=CC2

Synonyms:

• 1H-Indole-1-acetic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-2-oxo-, methyl ester
• Methyl 5-bromo-2,3-dihydro-3,3-dimethyl-2-oxo-1H-indole-1-acetate