1-Acetylindole

Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers of 1-acetylindole has been carried out using density functional (DFT/B3LYP) method. Regioselective acylations of 1-acetylindole (N-acetylindole) under Friedel-Crafts reaction has been reported. Reaction of 1-acetylindole with manganese(III) acetate in the presence of malonic acid, is reported to afford 4-acetyl-3,3a,4,8b-tetrahydro-2H-furo[3,2-b]indol-2-one.

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Catalog Number CBB1118199
Alternative Name(s) NSC 521758
Molecular Formula C10H9NO
CAS# 576-15-8
Purity >98%
Inchi 1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
Inchi Key UUCUQJHYUPXDHN-UHFFFAOYSA-N
SMILES CC(=O)n1ccc2ccccc12
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