1-乙酰吲哚

C₁₀H₉NO

159.18

209-396-1

MFCD00038005

24863492

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.

1-Acetylindole may be used in the stereocontrolled synthesis of (±)-geissoschizine. It may be used in the preparation of (1-acetyl-κO-indolyl-κC²)tetracarbonylmanganese, via a standard cyclomanganation procedure.
Reactant for preparation of:

• Antimycobacterial agents
• Cyclin-dependent kinase (CDK2) inhibitors

Reactant for:

• C3-C3 oxidative cross-coupling reactions

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 377104.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

98%

n20/D 1.607 (lit.)

123-125 ℃/8 mmHg (lit.)

1.387 g/mL at 25 ℃ (lit.)

2-8℃

CC(=O)n1ccc2ccccc12

1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3

UUCUQJHYUPXDHN-UHFFFAOYSA-N

1, 5 g in glass bottle

12 - Non Combustible Liquids

WGK 3

Eyeshields, Gloves