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CS-W001157 4
Total: USD 88.00

5-Bromonicotinic acid

  • CAS No. 20826-04-4

  • Cat. No. CS-W020058
  • Purity≥98%
  • MDL No.MFCD00009783

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

5-Bromonicotinic acid|CS-W020058

Structure of 20826-04-4

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General Information

  • CAS No. 20826-04-4
  • Cat. No. CS-W020058
  • Purity ≥98%
  • MDL No. MFCD00009783
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrNO₂
  • Molecular Weight 202.01
  • Synonym(s) None
  • SMILES O=C(C1=CC(Br)=CN=C1)O

Description

5-Bromopyridine-3-carboxylic acid (5-bromonicotinic acid) was used in the synthesis of 3-guanidinomethyl-5-iodopyridine.

Application

5-Bromonicotinic acid serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the pyridine ring for downstream coupling reactions. Its bromo group facilitates palladium-catalyzed cross-couplings, while the carboxylic acid functionality supports amide formation, esterification, and derivatization under standard conditions. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it ideal for use in medicinal chemistry campaigns and API intermediate synthesis.

Synthesis

  • Route1
    • null|null
      10400-19-8
    • ~96%
    • In-stock
      5-Bromonicotinic acid|CS-W020058
      20826-04-4

    References

    • WO2004/35545 A2, ; Page 45-46 ;
  • Route2
    • In-stock
      Nicergoline|CS-2941
      27848-84-6
    • ~11%
    • In-stock
      5-Bromonicotinic acid|CS-W020058
      20826-04-4
    • ((6aR,9R,10aS)-10a-Methoxy-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methanol Nicergoline Impurity|CS-0494694
      35155-28-3

    References

    • Journal of Pharmaceutical Sciences, , vol. 84, # 9 p. 1120 - 1125
  • Route3

    References

    • Tetrahedron: Asymmetry, , vol. 3, # 7 p. 871 - 901

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.5423
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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