3-(TRIFLUOROACETYL)INDOLE
Synonym(s):3-Indolyl trifluoromethyl ketone
- CAS NO.:14618-45-2
- Empirical Formula: C10H6F3NO
- Molecular Weight: 213.16
- MDL number: MFCD00182114
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 3-(TRIFLUOROACETYL)INDOLE?
The Uses of 3-(TRIFLUOROACETYL)INDOLE
Reactant for enantioselective synthesis of indoles via palladium-catalyzed kinetic asymmetrical alkylation. Reactant for preparation of N-pyridinyl indolecarboxamides via amidation of aminopyridine derivatives. with indolecarboxylic acid 2 Reactant for preparation of mast cell tryptase inhibitors, starting from indoles; using amidation as the key step 3 Reactant for formation of Michael adducts via Baylis-Hillman reaction 4 Reactant for preparation of indolecarboxamides via haloform cleavage of (trifluoroacetyl)indole with lithium dialkylamides.
The Uses of 3-(TRIFLUOROACETYL)INDOLE
- Reactant for enantioselective synthesis of indoles via palladium-catalyzed kinetic asymmetrical alkylation
- Reactant for preparation of N-pyridinyl indolecarboxamides via amidation of aminopyridine derivatives. with indolecarboxylic acid
- Reactant for preparation of mast cell tryptase inhibitors, starting from indoles; using amidation as the key step
- Reactant for formation of Michael adducts via Baylis-Hillman reaction
- Reactant for preparation of indolecarboxamides via haloform cleavage of (trifluoroacetyl)indole with lithium dialkylamides
General Description
3-(Trifluoroacetyl)indole is a heterocyclic trifluoromethyl ketone. One of the methods reported for its synthesis is by the reaction of indole with trifluoroacetic anhydride.
Properties of 3-(TRIFLUOROACETYL)INDOLE
Melting point: | 211-214 °C(lit.) |
Boiling point: | 308.6±37.0 °C(Predicted) |
Density | 1.423±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
form | Solid |
pka | 14.31±0.30(Predicted) |
color | White to Almost white |
CAS DataBase Reference | 14618-45-2(CAS DataBase Reference) |
Safety information for 3-(TRIFLUOROACETYL)INDOLE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-(TRIFLUOROACETYL)INDOLE
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1-(1-BENZYL-1H-INDOL-3-YL)-2,2,2-TRIFLUORO-1-ETHANONE
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2,2,2-TRIFLUORO-1-[1-(METHYLSULFONYL)-1H-INDOL-3-YL]-1-ETHANONE
3-(TRIFLUOROACETYL)INDOLE
1-(1-ETHYL-1H-INDOL-3-YL)-2,2,2-TRIFLUORO-1-ETHANONE
1-Methyl-3-(trifluoroacetyl)-1H-indole
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