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Methyl 3-bromo-6-(trifluoromethyl)picolinate

  • CAS No. 1211538-62-3

  • Cat. No. CS-0041163
  • Molecule weight284.03
  • Purity≥97%
  • MDL No.MFCD14698134

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

Methyl 3-bromo-6-(trifluoromethyl)picolinate|CS-0041163

Structure of 1211538-62-3

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General Information

  • CAS No. 1211538-62-3
  • Cat. No. CS-0041163
  • Purity ≥97%
  • MDL No. MFCD14698134
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrF₃NO₂
  • Molecular Weight 284.03
  • Synonym(s) Methyl 3-bromo-6-(trifluoromethyl)pyridine-2-carboxylate
  • SMILES O=C(C1=NC(C(F)(F)F)=CC=C1Br)OC

Description

Methyl 3-bromo-6-(trifluoromethyl)picolinate features a brominated pyridine core with a trifluoromethyl group at the 6-position and a methyl ester at C-3. This electron-deficient heterocycle enables efficient cross-coupling reactions, particularly in Pd-catalyzed transformations. The trifluoromethyl moiety enhances metabolic stability and lipophilicity, making it valuable for medicinal chemistry applications. Its bench-stable nature supports straightforward handling under standard conditions.

Application

Methyl 3-bromo-6-(trifluoromethyl)picolinate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-established bromo functionality. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the ester moiety allows for further derivatization. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient access to complex heterocyclic scaffolds and API intermediates.

Safety Information

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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   2.6495
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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