ChemicalBook--->CAS DataBase List--->51310-55-5

51310-55-5

51310-55-5 Structure

51310-55-5 Structure
IdentificationBack Directory
[Name]

3-TRIFLUOROMETHYL-1H-INDOLE
[CAS]

51310-55-5
[Synonyms]

3-TRIFLUOROMETHYL-1H-INDOLE
1H-Indole, 3-(trifluoroMethyl)-
[Molecular Formula]

C9H6F3N
[MDL Number]

MFCD09032290
[MOL File]

51310-55-5.mol
[Molecular Weight]

185.15
Chemical PropertiesBack Directory
[Melting point ]

109-110 °C
[Boiling point ]

256.7±35.0 °C(Predicted)
[density ]

1.367±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

15.16±0.30(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3-TRIFLUOROMETHYL-1H-INDOLE(51310-55-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

Indole

120-72-9

Sodium trifluoromethanesulfinate

2926-29-6

2-Trifluoromethylindole

51310-54-4

3-TRIFLUOROMETHYL-1H-INDOLE

51310-55-5

GENERAL METHODS: Indole derivative (0.3 mmol, 1.0 eq.), sodium trifluoromethanesulfinate (0.6 mmol, 2.0 eq.), 2-tert-butyl anthraquinone (0.06 mmol, 0.2 eq.), and ammonium carbonate (0.18 mmol, 0.6 eq.) were sequentially added to a quartz reaction tube. Hexafluoroisopropanol (0.075 mmol, 0.25 eq.) and acetonitrile (3 mL, 0.1 M) were subsequently added as solvents. The reaction mixture was exposed to 255 nm UV light for 24 hours. Upon completion of the reaction, the reaction was quenched with water and extracted with dichloromethane or ethyl acetate (3 x 30 mL). The organic phases were combined, dried with anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent. Finally, the target products 2-trifluoromethylindole and 3-(trifluoromethyl)-1H-indole were obtained by preparative thin-layer chromatography (TLC) using a suitable solvent system.

[References]

[1] Journal of Fluorine Chemistry, 2018, vol. 214, p. 94 - 100
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