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CS-W001157 4
Total: USD 88.00

1-(4-(Difluoromethoxy)phenyl)ethanone

  • CAS No. 83882-67-1

  • Cat. No. CS-W016916
  • Purity≥97%
  • MDL No.MFCD00042250

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

1-(4-(Difluoromethoxy)phenyl)ethanone|CS-W016916

Structure of 83882-67-1

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General Information

  • CAS No. 83882-67-1
  • Cat. No. CS-W016916
  • Purity ≥97%
  • MDL No. MFCD00042250
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₂
  • Molecular Weight 186.16
  • Synonym(s) ART-CHEM-BB B016264
  • SMILES CC(C1=CC=C(OC(F)F)C=C1)=O

Description

1-(4-(Difluoromethoxy)phenyl)ethanone features a para-difluoromethoxy-substituted phenyl ring linked to a ketone group, delivering enhanced lipophilicity and metabolic stability. This scaffold integrates readily into pharmaceutical intermediates, offering improved membrane permeability and resistance to oxidative degradation in synthetic routes.

Application

1-(4-(Difluoromethoxy)phenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant aryl ketones. Its difluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the acetyl moiety facilitates downstream transformations such as nucleophilic additions, reductions, and coupling reactions. The compound exhibits excellent bench stability and is readily purified by recrystallization or flash chromatography, making it well-suited for high-throughput synthesis and scale-up applications.

Synthesis

  • Route1
    • null|null
      60-29-7
    • null|null
      75-45-6
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~%
    • In-stock
      1-(4-(Difluoromethoxy)phenyl)ethanone|CS-W016916
      83882-67-1

    References

    • US4407813 A1, ;
  • Route2
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~%
    • In-stock
      1-(4-(Difluoromethoxy)phenyl)ethanone|CS-W016916
      83882-67-1

    References

    • US4769062 A1, ;
  • Route3
    • null|null
      115262-01-6
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~84%
    • In-stock
      1-(4-(Difluoromethoxy)phenyl)ethanone|CS-W016916
      83882-67-1

    References

    • Li, Lingchun; Wang, Fei; Ni, Chuanfa; Hu, Jinbo Angewandte Chemie - International Edition, 2013 , vol. 52, # 47 p. 12390 - 12394 Angew. Chem., 2013 , vol. 125, # 47 p. 12616 - 12620,5

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-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   2.4906
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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