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CS-W001157 4
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Methyl 5-fluoro-2-methylnicotinate

  • CAS No. 868636-57-1

  • Cat. No. CS-0160710
  • Purity≥96%
  • MDL No.MFCD18254252

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

Methyl 5-fluoro-2-methylnicotinate|CS-0160710

Structure of 868636-57-1

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General Information

  • CAS No. 868636-57-1
  • Cat. No. CS-0160710
  • Purity ≥96%
  • MDL No. MFCD18254252
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈FNO₂
  • Molecular Weight None
  • Synonym(s) 5-Fluoro-2-Methyl-nicotinic acid Methyl ester
  • SMILES O=C(OC)C1=C(C)N=CC(F)=C1

Description

Methyl 5-fluoro-2-methylnicotinate is a bench-stable, electron-deficient heterocyclic ester featuring a fluorine atom at the C5 position and a methyl group at C2. This structural motif enables direct incorporation into synthetic sequences requiring regioselective functionalization or coupling reactions under mild conditions.

Application

Methyl 5-fluoro-2-methylnicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its ortho-methyl and meta-fluoro substituents provide enhanced regioselectivity in coupling reactions and facilitate downstream functionalization via cross-coupling, nucleophilic substitution, or reduction. The ester functionality offers excellent bench stability and ease of purification, making it well-suited for iterative synthesis campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • PFIZER JAPAN INC.; PFIZER INC. Patent: WO2005/105732 A1, 2005 ; Location in patent: Page/Page column 53-54 ; WO 2005/105732 A1

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   39.19
  • LogP   1.31572
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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