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1-?????

1-?????
1-????? ??? ???
?? ??:
576-15-8
???:
1-?????
???(??):
1-?????
???:
1-ACETYLINDOLE
???(??):
N-ACETYLINDOLE;1-(1H-Indol-1-yl)ethan-1-one;1-acetyl-1H-indole;NSC 521758;Acetylindole;N-acetoindole;1-ACETYLINDOLE;L-Acetylindole;1-acetyl-1h-indol;1-Acetylindole,98%
CBNumber:
CB1443541
???:
C10H9NO
??? ??:
159.18
MOL ??:
576-15-8.mol
MSDS ??:
SDS

1-????? ??

???
189 °C
?? ?
123-125 °C/8 mmHg (lit.)
??
1.387 g/mL at 25 °C (lit.)
???
n20/D 1.607(lit.)
???
>230 °F
?? ??
2-8°C
??? ??
liquid
??
Colorless to light yellow Liquid
??
0.10?%?in?????? ?????. ???
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 ??????
576-15-8(CAS DataBase Reference)
EPA
1H-Indole, 1-acetyl- (576-15-8)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????? 24/25
WGK ?? 3
TSCA TSCA listed
HS ?? 29339990
???? ??? 10 - Combustible liquids
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

1-????? C??? ??, ??, ??

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clear yellow liquid after melting

??

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.

?? ??

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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