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CS-W001157 4
Total: USD 88.00

1-(3-(Difluoromethoxy)phenyl)ethan-1-one

  • CAS No. 101975-23-9

  • Cat. No. CS-0042578
  • Purity≥98%
  • MDL No.MFCD00236220

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

1-(3-(Difluoromethoxy)phenyl)ethan-1-one|CS-0042578

Structure of 101975-23-9

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General Information

  • CAS No. 101975-23-9
  • Cat. No. CS-0042578
  • Purity ≥98%
  • MDL No. MFCD00236220
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₂
  • Molecular Weight 186.16
  • Synonym(s) 1-[3-(Difluoromethoxy)phenyl]ethanone
  • SMILES CC(C1=CC=CC(OC(F)F)=C1)=O

Description

This ketone features a difluoromethoxy group attached to a phenyl ring, enhancing electron-withdrawing character and metabolic stability. The acetyl side chain provides a reactive carbonyl for nucleophilic addition or conjugate addition. This scaffold serves as a key building block in medicinal chemistry, particularly for targeting CNS-penetrant molecules and bioactive heterocycles.

Application

1-(3-(Difluoromethoxy)phenyl)ethan-1-one serves as a versatile aryl ketone building block for medicinal chemistry and materials synthesis. Its difluoromethoxy substituent enhances metabolic stability and modulates lipophilicity, while the acetyl group enables straightforward functionalization via nucleophilic addition, enolization, or coupling reactions. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      75-45-6
    • In-stock
      3-Hydroxyacetophenone|CS-0015375
      121-71-1
    • ~%
    • In-stock
      1-(3-(Difluoromethoxy)phenyl)ethan-1-one|CS-0042578
      101975-23-9

    References

    • Pesticide Science, , vol. 54, # 3 p. 223 - 229

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   2.4906
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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