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CS-W001157 4
Total: USD 88.00

(3E)-4-[4-(TrifluoroMethyl)phenyl]but-3-en-2-one

  • CAS No. 115665-92-4

  • Cat. No. CS-0102821
  • Purity≥98%
  • MDL No.MFCD00052848

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

(3E)-4-[4-(TrifluoroMethyl)phenyl]but-3-en-2-one|CS-0102821

Structure of 115665-92-4

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General Information

  • CAS No. 115665-92-4
  • Cat. No. CS-0102821
  • Purity ≥98%
  • MDL No. MFCD00052848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₃O
  • Molecular Weight 214.18
  • Synonym(s) None
  • SMILES CC(/C=C/C1=CC=C(C(F)(F)F)C=C1)=O

Description

(3E)-4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one features a conjugated enone system linked to a para-trifluoromethyl aryl group, delivering enhanced electron-withdrawing character and stability. This structure enables efficient participation in Michael additions and Diels–Alder reactions, particularly under mild conditions. The trifluoromethyl moiety imparts lipophilicity and metabolic resistance, supporting utility in medicinal chemistry scaffolds and functional materials.

Application

(3E)-4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one serves as a versatile enone building block for conjugate addition reactions and Michael additions, enabling efficient construction of complex carbocyclic and heterocyclic frameworks. Its α,β-unsaturated ketone functionality exhibits robust stability under standard bench conditions and tolerates a range of functional groups, facilitating downstream transformations in medicinal chemistry 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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.3076
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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