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4,4,4-Trifluoro-1-(pyridin-3-yl)butane-1,3-dione

  • CAS No. 582-73-0

  • Cat. No. CS-0269316
  • Purity≥97%
  • MDL No.None

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

4,4,4-Trifluoro-1-(pyridin-3-yl)butane-1,3-dione|CS-0269316

Structure of 582-73-0

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General Information

  • CAS No. 582-73-0
  • Cat. No. CS-0269316
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₂
  • Molecular Weight 217.14
  • Synonym(s) 4,4,4-Trifluoro-1-(pyridine-3-yl)butane-1,3-dione
  • SMILES C1=CC(=CN=C1)C(=O)CC(=O)C(F)(F)F

Description

4,4,4-Trifluoro-1-(pyridin-3-yl)butane-1,3-dione features a trifluoromethylated β-diketone scaffold bearing a pyridin-3-yl substituent. This electron-deficient enone system enables direct coupling in cross-coupling reactions and serves as a versatile synthon in medicinal chemistry. The molecule exhibits enhanced metabolic stability and favorable solubility characteristics under standard conditions.

Application

4,4,4-Trifluoro-1-(pyridin-3-yl)butane-1,3-dione serves as a versatile β-dicarbonyl building block for heterocyclic synthesis, leveraging its trifluoromethyl-substituted enolizable system to facilitate condensation reactions. Its pyridinyl moiety enhances solubility and provides a handle for further functionalization. The compound exhibits bench stability and facilitates efficient construction of fluorinated pharmacophores in medicinal chemistry 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   47.03
  • LogP   1.7858
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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