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CS-W001157 4
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4-(3-Fluorophenyl)cyclohexanone

  • CAS No. 40503-87-5

  • Cat. No. CS-0186864
  • Purity≥98%
  • MDL No.None

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

4-(3-Fluorophenyl)cyclohexanone|CS-0186864

Structure of 40503-87-5

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General Information

  • CAS No. 40503-87-5
  • Cat. No. CS-0186864
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃FO
  • Molecular Weight 192.23
  • Synonym(s) 4-(3'-fluorophenyl)-cyclohexanone
  • SMILES C1=CC(=CC(=C1)F)C2CCC(=O)CC2

Description

4-(3-Fluorophenyl)cyclohexanone features a fluorinated aromatic ring integrated with a cyclohexanone core, delivering enhanced electronic effects and metabolic stability. This structural motif enables efficient incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS therapeutics and kinase inhibitors. The compound exhibits favorable solubility and bench-stability under standard conditions.

Application

4-(3-Fluorophenyl)cyclohexanone serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functional group transformations. Its cyclohexanone core facilitates enolate chemistry and reductive amination, while the ortho-fluorinated phenyl group offers enhanced metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is amenable to purification via recrystallization or column chromatography, supporting its utility in multi-step synthesis campaigns.

Synthesis

  • Route1
    • null|null
      217476-14-7
    • ~99%
    • In-stock
      4-(3-Fluorophenyl)cyclohexanone|CS-0186864
      40503-87-5

    References

    • Chisso Corporation; Chisso Corporation Patent: EP2206695 A1, 2010 ; Location in patent: Page/Page column 57-58 ;
  • Route2

    References

    • Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming Journal of the American Chemical Society, 2012 , vol. 134, # 41 p. 17023 - 17026,4
  • Route3

    References

    • Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming Journal of the American Chemical Society, 2012 , vol. 134, # 41 p. 17023 - 17026,4

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   17.07
  • LogP   3.0524
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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