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ChemicalBook--->CAS DataBase List--->576-15-8

576-15-8

576-15-8 Structure

576-15-8 Structure
IdentificationMore
[Name]

1-ACETYLINDOLE
[CAS]

576-15-8
[Synonyms]

1-ACETYLINDOLE
N-ACETYLINDOLE
1-acetyl-1h-indol
Acetylindole
1-acetyl-1H-indole
L-Acetylindole
1H-Indole, 1-acetyl-(9CI)
1H-Indole, 1-acetyl-
N-acetoindole
Methyl 1H-indole-1-yl ketone
[EINECS(EC#)]

209-396-1
[Molecular Formula]

C10H9NO
[MDL Number]

MFCD00038005
[Molecular Weight]

159.18
[MOL File]

576-15-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid after melting
[Melting point ]

189 °C
[Boiling point ]

123-125 °C/8 mmHg (lit.)
[density ]

1.387 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.607(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[Odor]

at 0.10?%?in?dipropylene glycol. floral
[LogP]

2.239 (est)
[CAS DataBase Reference]

576-15-8(CAS DataBase Reference)
[EPA Substance Registry System]

1H-Indole, 1-acetyl- (576-15-8)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29339990
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid after melting
[Uses]

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.
[Definition]

ChEBI: N-Acetylindole is a member of indoles.
[Synthesis Reference(s)]

Tetrahedron Letters, 29, p. 2151, 1988 DOI: 10.1016/S0040-4039(00)86696-4
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-ACETYLINDOLE(576-15-8)1HNMR
1-ACETYLINDOLE(576-15-8)IR
1-ACETYLINDOLE(576-15-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Acetylindole, 98%(576-15-8)
[Sigma Aldrich]

576-15-8(sigmaaldrich)
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