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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 326-06-7

  • Cat. No. CS-W014860
  • Purity≥97%
  • MDL No.MFCD00000425

*For research and further manufacturing use only, not for direct human use.

4,4,4-Trifluoro-1-phenylbutane-1,3-dione|CS-W014860

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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

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.

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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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.3908
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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