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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-methylphenol

  • CAS No. 216976-31-7

  • Cat. No. CS-W021923
  • Purity≥98%
  • MDL No.MFCD04115885

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

3-Fluoro-5-methylphenol|CS-W021923

Structure of 216976-31-7

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General Information

  • CAS No. 216976-31-7
  • Cat. No. CS-W021923
  • Purity ≥98%
  • MDL No. MFCD04115885
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO
  • Molecular Weight 126.13
  • Synonym(s) 5-Fluoro-m-cresol
  • SMILES CC1=CC(O)=CC(F)=C1

Description

3-Fluoro-5-methylphenol features a fluorine atom at the meta position and a methyl group at the para position relative to the phenolic hydroxyl, creating a uniquely activated aromatic system. This electron-deficient yet sterically accessible scaffold integrates readily into synthetic routes requiring polarized aryl coupling partners. The compound exhibits enhanced stability under standard bench conditions and demonstrates favorable solubility in common organic solvents, facilitating its use in pharmaceutical intermediates and agrochemical development.

Application

3-Fluoro-5-methylphenol serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard coupling reactions. Its ortho-fluoro and meta-methyl substituents provide directed functionalization potential and enhanced metabolic stability. The compound exhibits good bench stability and facilitates efficient derivatization for API development.

Synthesis

  • Route1

    References

    • Daiichi Sankyo Company, Limited Patent: EP2138484 A1, 2009 ; Location in patent: Page/Page column 44 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314-H318
Precautionary Statements : P280-P304+P340

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.83972
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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