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CS-W001157 4
Total: USD 88.00

7-(Trifluoromethyl)chroman-4-one

  • CAS No. 111141-02-7

  • Cat. No. CS-0033202
  • Purity≥97%
  • MDL No.MFCD09998165

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

7-(Trifluoromethyl)chroman-4-one|CS-0033202

Structure of 111141-02-7

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General Information

  • CAS No. 111141-02-7
  • Cat. No. CS-0033202
  • Purity ≥97%
  • MDL No. MFCD09998165
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₃O₂
  • Molecular Weight 216.16
  • Synonym(s) 7-(Trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
  • SMILES O=C1C2=CC=C(C(F)(F)F)C=C2OCC1

Description

7-(Trifluoromethyl)chroman-4-one features a trifluoromethyl group at the 7-position of a chroman-4-one scaffold, imparting enhanced electron-withdrawing character and metabolic stability. This structural motif enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

7-(Trifluoromethyl)chroman-4-one serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive chroman scaffolds. Its trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the ketone functionality supports diverse transformations including nucleophilic additions and reductive aminations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in drug discovery.

Synthesis

  • Route1
    • null|null
      1140496-03-2
    • ~%
    • In-stock
      7-(Trifluoromethyl)chroman-4-one|CS-0033202
      111141-02-7

    References

    • US2009/93472 A1, ; Page/Page column 14 ; US 20090093472 A1
  • Route2
    • 3-(3-(Trifluoromethyl)phenoxy)propanoic acid|CS-0451149
      111140-93-3
    • ~%
    • 5-(Trifluoromethyl)chroman-4-one|CS-0686557
      111141-06-1
    • In-stock
      7-(Trifluoromethyl)chroman-4-one|CS-0033202
      111141-02-7

    References

    • Journal of Medicinal Chemistry, , vol. 31, # 1 p. 230 - 243
  • Route3
    • null|null
      890839-56-2
    • ~%
    • 5-(Trifluoromethyl)chroman-4-one|CS-0686557
      111141-06-1
    • In-stock
      7-(Trifluoromethyl)chroman-4-one|CS-0033202
      111141-02-7

    References

    • US2006/128689 A1, ; Page/Page column 24 ;

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   26.3
  • LogP   2.6706
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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