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Total: USD 88.00

Methyl 6-chloro-5-(trifluoromethyl)picolinate

  • CAS No. 1211518-35-2

  • Cat. No. CS-0041631
  • Molecule weight239.58
  • Purity≥96%
  • MDL No.MFCD18255501

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

Methyl 6-chloro-5-(trifluoromethyl)picolinate|CS-0041631

Structure of 1211518-35-2

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General Information

  • CAS No. 1211518-35-2
  • Cat. No. CS-0041631
  • Purity ≥96%
  • MDL No. MFCD18255501
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO₂
  • Molecular Weight 239.58
  • Synonym(s) Methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
  • SMILES O=C(C1=NC(Cl)=C(C(F)(F)F)C=C1)OC

Description

Methyl 6-chloro-5-(trifluoromethyl)picolinate features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the chloro substituent provides a reactive handle for cross-coupling. This bench-stable ester integrates readily into synthetic routes requiring electron-deficient heterocycles, enabling efficient access to advanced intermediates in medicinal chemistry and agrochemical development.

Application

Methyl 6-chloro-5-(trifluoromethyl)picolinate serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the methyl ester facilitates downstream derivatization. The molecule exhibits excellent bench stability and is compatible with standard synthetic workflows.

Synthesis

  • Route1
    • null|null
      1415899-18-1
    • ~64%
    • In-stock
      Methyl 6-chloro-5-(trifluoromethyl)picolinate|CS-0041631
      1211518-35-2

    References

    • US2012/316147 A1, ; Page/Page column 77 ;
  • Route2

    References

    • US2012/316147 A1, ; WO2012/168350 A1, ; WO 2012/168350 A1
  • Route3

    References

    • US2012/316147 A1, ; WO2012/168350 A1, ; WO 2012/168350 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.5404
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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