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CS-W001157 4
Total: USD 88.00

1-(4-(Trifluoromethyl)phenyl)propan-1-one

  • CAS No. 711-33-1

  • Cat. No. CS-W015520
  • Purity≥96%
  • MDL No.MFCD00039231

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

1-(4-(Trifluoromethyl)phenyl)propan-1-one|CS-W015520

Structure of 711-33-1

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General Information

  • CAS No. 711-33-1
  • Cat. No. CS-W015520
  • Purity ≥96%
  • MDL No. MFCD00039231
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O
  • Molecular Weight 202.18
  • Synonym(s) p-Trifluoromethylpropiophenone
  • SMILES CCC(C1=CC=C(C(F)(F)F)C=C1)=O

Description

1-(4-(Trifluoromethyl)phenyl)propan-1-one features a conjugated aryl-ketone system with a strongly electron-withdrawing trifluoromethyl group, enhancing electrophilicity at the carbonyl center. This bench-stable ketone integrates readily into C–C bond formation strategies and serves as a key building block in pharmaceutical synthesis and materials chemistry.

Application

1-(4-(Trifluoromethyl)phenyl)propan-1-one serves as a valuable building block in medicinal chemistry, enabling the synthesis of biologically active compounds through established carbonyl transformations. Its trifluoromethyl aryl group enhances metabolic stability and lipophilicity, while the ketone functionality supports efficient conjugate additions, reductions, and coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses requiring functional group tolerance and predictable reactivity.

Synthesis

  • Route1

    References

    • Engler, Thomas A.; Combrink, Keith D.; Ray, James E. Synthetic Communications, 1989 , vol. 19, # 9-10 p. 1735 - 1744
  • Route2

    References

    • Ueno, Satoshi; Shimizu, Ryosuke; Kuwano, Ryoichi Angewandte Chemie, International Edition, 2009 , vol. 48, p. 4543 - 4545 Angewandte Chemie, 2009 , vol. 121, p. 4613 - 4615
  • Route3
    • In-stock
      1-(4-(Trifluoromethyl)phenyl)ethanone|CS-W007473
      709-63-7
    • null|null
      68-12-2
    • ~70%
    • In-stock
      1-(4-(Trifluoromethyl)phenyl)propan-1-one|CS-W015520
      711-33-1

    References

    • Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang Organic Letters, 2014 , vol. 16, # 1 p. 66 - 69

Safety Information

Download SDS
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.2981
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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