4,4,4-Trifluoro-1-phenylbutane-1,3-dione

Name: 4,4,4-Trifluoro-1-phenylbutane-1,3-dione
Brand: ChemScene
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CAS No. 326-06-7
Cat. No. CS-W014860
Purity≥97%
MDL No.MFCD00000425

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4,4,4-Trifluoro-1-phenylbutane-1,3-dione|CS-W014860

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Description

4,4,4-Trifluoro-1-phenyl-1,3-butanedione was used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents via Schiff base condensation reaction. It was also used in mixed-ligand chelate extraction of trivalent lanthanides and as a ligand in the preparation of ternary lanthanide (Ln) complexes.

Application

4,4,4-Trifluoro-1-phenylbutane-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated heterocycles and bioactive scaffolds. Its α-dicarbonyl functionality facilitates enolization and condensation reactions, while the trifluoromethyl group enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard purification methods, making it suitable for iterative synthesis and process development workflows.

General Information

CAS No. 326-06-7
Cat. No. CS-W014860
Purity ≥97%
MDL No. MFCD00000425
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇F₃O₂
Molecular Weight 216.16
Synonym(s) Benzoyltrifluoroacetone
SMILES O=C(CC(C(F)(F)F)=O)C1=CC=CC=C1

Computational Chemistry Data

TPSA 34.14
LogP 2.3908
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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4,4,4-Trifluoro-1-phenylbutane-1,3-dione

CAS No. 326-06-7

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