| Identification | More | [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 Properties | Back 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 | [form ]
liquid | [Odor]
at 0.10?%?in?dipropylene glycol. floral | [InChI]
1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3 | [InChIKey]
UUCUQJHYUPXDHN-UHFFFAOYSA-N | [SMILES]
CC(=O)n1ccc2ccccc12 | [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 Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HS Code ]
29339990 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back 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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
DebyeTec.com Inc.
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18086626237 18086626237 |
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https://www.chemicalbook.com/ShowSupplierProductsList16955/0.htm |
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