469548
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
98%
Synonym(s):
PTA, Pivaloyltrifluoroacetone
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About This Item
Linear Formula:
(CH3)3CCOCH2COCF3
CAS Number:
Molecular Weight:
196.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
245-211-0
MDL number:
Assay:
98%
InChI key
BVPKYBMUQDZTJH-UHFFFAOYSA-N
InChI
1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
SMILES string
CC(C)(C)C(=O)CC(=O)C(F)(F)F
assay
98%
refractive index
n20/D 1.407 (lit.)
bp
138-141 °C (lit.)
density
1.129 g/mL at 25 °C (lit.)
functional group
fluoro, ketone
Quality Level
Gene Information
mouse ... Mtap(66902)
Related Categories
General description
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone. It forms Er(3+) complexes. These complexes shows thermally activated slow relaxation of magnetization under a zero direct-current (DC) field.
Application
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D2-TFDMHD, by mixing with D2O.
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M Ramos Silva et al.
Dalton transactions (Cambridge, England : 2003), 44(3), 1264-1272 (2014-11-22)
The magnetic properties of two similar Er(3+) complexes have been investigated. [Er(tpm)3(bipy)] (Htpm = 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione and bipy = 2,2'-bipyridine) displays thermally activated slow relaxation of magnetisation under a zero direct-current (DC) field. Under an applied HDC field of 1000 G
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Conformation, molecular structure, and intramolecular hydrogen bonding of 1, 1, 1-trifluoro-5, 5-dimethyl-2, 4-hexanedione.
Vakili M, et al.
Journal of Molecular Structure, 1021, 102-111 (2012)
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