377104-1G Display Image

1-Acetylindole, 98%

Code: 377104-1G D2-231

Application

1-Acetylindole may be used in the stereocontrolled synthesis of (±)-geissoschizine. It may be used in the preparation of (1-acetyl-κO-indolyl-κC...


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Your Price
£84.70 1G

Application

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) inhibitorsReactant for: C3-C3 oxidative cross-coupling reactions

General description

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.

Other Notes

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.

Packaging

1, 5 g in glass bottle

assay98%
bp123-125 °C/8 mmHg (lit.)
density1.387 g/mL at 25 °C (lit.)
formliquid
InChI keyUUCUQJHYUPXDHN-UHFFFAOYSA-N
InChI1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
refractive indexn20/D 1.607 (lit.)
SMILES stringCC(=O)n1ccc2ccccc12
storage temp.2-8°C
Code
Description
Unit Size
List Price
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377104-5G
Unit:5G
List Price: £228.00
Source:List Price
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Cas Number576-15-8
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