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CS-W001157 4
Total: USD 88.00

1-(3-Fluorophenyl)cyclopropane-1-carboxylic acid

  • CAS No. 248588-33-2

  • Cat. No. CS-0060402
  • Purity≥97%
  • MDL No.MFCD07374443

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

1-(3-Fluorophenyl)cyclopropane-1-carboxylic acid|CS-0060402

Structure of 248588-33-2

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General Information

  • CAS No. 248588-33-2
  • Cat. No. CS-0060402
  • Purity ≥97%
  • MDL No. MFCD07374443
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₂
  • Molecular Weight 180.18
  • Synonym(s) 1-(3-Fluorophenyl)cyclopropanecarboxylic acid
  • SMILES C1=CC(=CC(=C1)F)C2(CC2)C(=O)O

Description

1-(3-Fluorophenyl)cyclopropane-1-carboxylic acid features a rigid cyclopropane ring fused to an electron-deficient fluorinated phenyl moiety, delivering enhanced metabolic stability and precise spatial orientation. This structural motif enables efficient integration into bioactive scaffolds for medicinal chemistry campaigns targeting CNS disorders and kinase inhibition.

Application

1-(3-Fluorophenyl)cyclopropane-1-carboxylic acid serves as a valuable building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functional group manipulations. Its cyclopropyl carboxylic acid motif exhibits enhanced metabolic stability and conformational rigidity, facilitating target engagement in CNS and oncology drug discovery. The molecule demonstrates excellent bench stability and compatibility with common coupling reactions, simplifying purification and scale-up in multi-step syntheses.

Synthesis

  • Route1
    • In-stock
      2-(3-Fluorophenyl)acetonitrile|CS-W011065
      501-00-8
    • null|null
      107-04-0
    • ~%
    • In-stock
      1-(3-Fluorophenyl)cyclopropane-1-carboxylic acid|CS-0060402
      248588-33-2

    References

    • WO2004/43911 A2, ; Page 49-50 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.9419
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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