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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-methylpyridine

  • CAS No. 399-88-2

  • Cat. No. CS-W016623
  • Molecule weight111.12
  • Purity≥98%
  • MDL No.MFCD04114226

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

3-Fluoro-4-methylpyridine|CS-W016623

Structure of 399-88-2

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General Information

  • CAS No. 399-88-2
  • Cat. No. CS-W016623
  • Purity ≥98%
  • MDL No. MFCD04114226
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆FN
  • Molecular Weight 111.12
  • Synonym(s) 3-Fluoro-4-picoline
  • SMILES CC1=C(F)C=NC=C1

Description

3-Fluoro-4-methylpyridine features a fluorinated pyridine core with a methyl group at the 4-position, delivering enhanced electronic modulation and improved metabolic stability. This bench-stable heterocycle integrates readily into medicinal chemistry scaffolds, serving as a key building block for kinase inhibitors and bioactive small molecules.

Application

3-Fluoro-4-methylpyridine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the pyridine ring due to its ortho-fluoro activation. The methyl group provides a handle for oxidation or selective substitution, while the fluorine facilitates nucleophilic aromatic substitution under mild conditions. Its stability and compatibility with common coupling reactions make it a practical choice for constructing heterocyclic scaffolds in API development.

Synthesis

  • Route1
    • In-stock
      3-Fluoropyridine|CS-W011338
      372-47-4
    • null|null
      74-88-4
    • ~47%
    • In-stock
      3-Fluoro-4-methylpyridine|CS-W016623
      399-88-2

    References

    • ALMIRALL PRODESFARMA, S.A. Patent: WO2007/17096 A1, 2007 ; Location in patent: Page/Page column 70-71 ; WO 2007/017096 A1
  • Route2

    References

    • Timperley, Christopher M.; Banks, R. Eric; Young, Ian M.; Haszeldine, Robert N. Journal of Fluorine Chemistry, 2011 , vol. 132, # 8 p. 541 - 547
  • Route3

    References

    • Roe; Seligman Journal of Organic Chemistry, 1955 , vol. 20, p. 1729,1731

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   1.52912
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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