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CS-W001157 4
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5-Bromo-6-methoxynicotinic acid

  • CAS No. 1186194-46-6

  • Cat. No. CS-0041802
  • Purity≥98%
  • MDL No.MFCD11226508

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

5-Bromo-6-methoxynicotinic acid|CS-0041802

Structure of 1186194-46-6

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General Information

  • CAS No. 1186194-46-6
  • Cat. No. CS-0041802
  • Purity ≥98%
  • MDL No. MFCD11226508
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₃
  • Molecular Weight 232.03
  • Synonym(s) 5-BroMo-6-Methoxypyridine-3-carboxylic acid
  • SMILES O=C(O)C1=CN=C(OC)C(Br)=C1

Description

5-Bromo-6-methoxynicotinic acid features a bromine substituent at the 5-position and a methoxy group at the 6-position on a nicotinic acid scaffold, delivering enhanced electronic modulation and solubility. This combination enables efficient incorporation into pharmaceutical intermediates and functional materials.

Application

5-Bromo-6-methoxynicotinic acid serves as a versatile building block in the synthesis of heterocyclic scaffolds and bioactive molecules. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid and methoxy functionalities offer orthogonal handles for further derivatization. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • SANOFI-AVENTIS; PERNERSTORFER, Josef; KLEEMANN, Heinz-Werner; SCHAEFER, Matthias; SAFAROVA, Alena; PATEK, Marcel Patent: WO2011/53948 A1, 2011 ; Location in patent: Page/Page column 158 ; WO 2011/053948 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

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   1.5509
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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