Available from stock

1,1,1-Trifluor-5,5-dimethyl-2,4-hexandion

SKU: T0630

Category: Building Blocks, Intermediates, Reagents

Synonyms: PTA, Pivaloyltrifluoraceton, TFDMHD; 22767-90-4
CAS-Number: C₈H₁₁F₃O₂
Molecular Formula: 196.17
Molecular Weight

For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.

Product Data
Handling
Safety Information
Details

Specifications

Purity: ≥98% (GC)
Appearance: Colourless to light yellow liquid

Properties

Solvents: chloroform, tetrahydrofuran, diethylether, dichlormethan
Boiling Point: 138-141 °C (lit.)
Refractive Index: n20/D 1.407 (lit.)
Density: 1.129 g/ml at 25 °C (lit.)

Documentation

Safety Data Sheet (SDS): CDX T0630 MSDS.pdf

Shipping: AMBIENT
Short Term Storage: RT
Long Term Storage: +4°C
Handling Advice: Protect from light and moisture.
Use / Stability: Stable for at least 2 years after receipt when stored at +4°C.

Hazard statements: H226
GHS Symbol: GHS02
Signal word: Warning
RIDADR: UN1224
Transportation: Packing Group III

Description: 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a diketone building block for chemical synthesis of different types of compounds. 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 or in the preparation of ternary Tb(III) complexes for photoluminescence compounds.
Smiles: CC(C)(C)C(=O)CC(=O)C(F)(F)F
InChi Key: BVPKYBMUQDZTJH-UHFFFAOYSA-N
References: (1) G. Novitchi, et al., Magn. Res. Chem 42, 801 (2004) , (2) M. Vakili, et al., J. Mol. Struct. 1021, 102 (2012) , (3) N.M. Rezayee, et al., Dalton Trans. 42, 5573 (2013) , (4) M. Ramos Silva, et al., Dalton Trans. 44, 1264 (2015) , (5) S.Redhu, et al., J. Luminescence 271, 120588 (2024)
InChi: InCHI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a diketone building block for chemical synthesis of different types of compounds. 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 or in the preparation of ternary Tb(III) complexes for photoluminescence compounds.

SKU: T0630 Category: Building Blocks, Intermediates, Reagents

Additional information

Additional information

Synonyms	PTA, Pivaloyltrifluoraceton, TFDMHD
Purity	≥98% (GC)
Appearance	Colourless to light yellow liquid
CAS-Number	22767-90-4
Molecular Formula	C8H11F3O2
Molecular Weight	196.17
Solvents	chloroform, tetrahydrofuran, diethylether, dichlormethan
Boiling Point	138-141 °C (lit.)
Refractive Index	n20/D 1.407 (lit.)
Density	1.129 g/ml at 25 °C (lit.)
Smiles	CC(C)(C)C(=O)CC(=O)C(F)(F)F
InChi Key	BVPKYBMUQDZTJH-UHFFFAOYSA-N
Shipping	AMBIENT
Short Term Storage	RT
Long Term Storage	+4°C
Handling Advice	Protect from light and moisture.
Use / Stability	Stable for at least 2 years after receipt when stored at +4°C.
Hazard statements	H226
GHS Symbol	GHS02
Signal word	Warning
RIDADR	UN1224
Transportation	Packing Group III
References	(1) G. Novitchi, et al., Magn. Res. Chem 42, 801 (2004), (2) M. Vakili, et al., J. Mol. Struct. 1021, 102 (2012), (3) N.M. Rezayee, et al., Dalton Trans. 42, 5573 (2013), (4) M. Ramos Silva, et al., Dalton Trans. 44, 1264 (2015), (5) S.Redhu, et al., J. Luminescence 271, 120588 (2024)
InChi	InCHI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
Quantity	5 ml, Bulk