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CS-W001157 4
Total: USD 88.00

Phenyl(3-(trifluoromethyl)phenyl)methanone

  • CAS No. 728-81-4

  • Cat. No. CS-0313898
  • Purity≥98%
  • MDL No.MFCD00000389

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

Phenyl(3-(trifluoromethyl)phenyl)methanone|CS-0313898

Structure of 728-81-4

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General Information

  • CAS No. 728-81-4
  • Cat. No. CS-0313898
  • Purity ≥98%
  • MDL No. MFCD00000389
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉F₃O
  • Molecular Weight 250.22
  • Synonym(s) 3-(Trifluoromethyl)benzophenone
  • SMILES C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(F)(F)F

Description

Phenyl(3-(trifluoromethyl)phenyl)methanone features a sterically hindered aryl ketone core with strong electron-withdrawing trifluoromethyl substitution. This configuration enhances stability and facilitates directed functionalization in synthetic transformations. The molecule integrates readily into complex scaffolds requiring high chemical robustness under standard conditions.

Application

Phenyl(3-(trifluoromethyl)phenyl)methanone serves as a versatile aryl ketone building block for the synthesis of biaryl systems and heterocyclic scaffolds. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carbonyl functionality enables reliable nucleophilic addition and condensation reactions. The compound exhibits excellent bench stability and is compatible with standard purification protocols, facilitating its use in medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1
    • Phenyl(3-(trifluoromethyl)phenyl)methanol|CS-0312598
      728-80-3
    • ~92%
    • In-stock
      Phenyl(3-(trifluoromethyl)phenyl)methanone|CS-0313898
      728-81-4

    References

    • Stavber, Stojan; Planinsek, Zdenka; Kosir, Iztok; Zupan, Marko Journal of Fluorine Chemistry, 1992 , vol. 59, # 3 p. 409 - 412
  • Route2
    • In-stock
      1-Iodo-3-(trifluoromethyl)benzene|CS-W003967
      401-81-0
    • null|null
      98-88-4
    • ~70%
    • In-stock
      Phenyl(3-(trifluoromethyl)phenyl)methanone|CS-0313898
      728-81-4

    References

    • Lee, Dohyung; Ryu, Taekyu; Park, Youngchul; Lee, Phil Ho Organic Letters, 2014 , vol. 16, # 4 p. 1144 - 1147
  • Route3
    • null|null
      395-10-8
    • ~79%
    • In-stock
      Phenyl(3-(trifluoromethyl)phenyl)methanone|CS-0313898
      728-81-4

    References

    • Singh, Fateh V.; Milagre, Humberto M.S.; Eberlin, Marcos N.; Stefani, Helio A. Tetrahedron Letters, 2009 , vol. 50, # 20 p. 2312 - 2316

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.9364
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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