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

ALDRICH/426016 - 99%

CAS Number: 326-90-9
Empirical Formula (Hill Notation): C8H5F3O3
Molecular Weight: 206.12
EC Number: 206-315-1
MDL Number: MFCD00020935
Linear Formula: C8H5F3O3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-426016-1G 1 g
 $33.60
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assay 99%
bp 203 °C (lit.)
density 1.391 g/mL at 25 °C (lit.)
form liquid
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
mp 19-21 °C (lit.)
refractive index n20/D 1.528 (lit.)
SMILES string FC(F)(F)C(=O)CC(=O)c1ccco1
storage temp. 2-8°C
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.
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.
Packaging: 1 g in glass bottle
WGK Germany WGK 3
Flash Point(F) 188.6 °F - closed cup
Flash Point(C) 87 °C - closed cup
Purity 99%
bp 203 °C (lit.)
mp 19-21 °C (lit.)
Density 1.391 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.528 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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