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426016

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione

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About This Item

Empirical Formula (Hill Notation):
C8H5F3O3
CAS Number:
326-90-9
Molecular Weight:
206.12
NACRES:
NA.22
PubChem Substance ID:
24866679
UNSPSC Code:
12352100
EC Number:
206-315-1
MDL number:
MFCD00020935
Assay:
99%
Form:
liquid
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Quality Segment

100

assay

99%

form

liquid

refractive index

n20/D 1.528 (lit.)

bp

203 °C (lit.)

mp

19-21 °C (lit.)

density

1.391 g/mL at 25 °C (lit.)

functional group

fluoro, ketone

storage temp.

2-8°C

SMILES string

FC(F)(F)C(=O)CC(=O)c1ccco1

InChI

1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

InChI key

OWLPCALGCHDBCN-UHFFFAOYSA-N

General description

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione (furoyltrifluoroacetone, FTFA) is a β-diketone. Its cytotoxic activity against human cultured tumor and normal cells has been evaluated. Reports suggest that 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione partially inhibits the oxidation of ferrocyanide in ETP (electron transport particles) isolated from beef heart mitochondria. Its reaction with N,N,N′,N′-tetramethylalkyl diamines to form ionic adducts has been investigated. The conformational analysis of the enol and keto form of FTFA has been reported.

Application

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione (tfa) may be used in the following studies:
  • As capping ligand in the synthesis of [Eu(tfa)3]2bpm complexes (bpm=2,2′-bipyrimidine).
  • As reagent in the multistep synthesis of [13CD2]benzylamine.
  • As reagent in the synthesis of 3-trifluoromethyl-2-arylcarbonylquinoxaline 1,4-di-N-oxide derivatives by reacting with corresponding benzofurazan oxides.
  • In the efficient syntheses of perfluoroalkyl substituted azoles.
  • Synthesis of 2-arylcarbonyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

188.6 °F - closed cup

flash_point_c

87 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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