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CS-W001157 4
Total: USD 88.00

3-Bromoquinoline-6-carboxylic acid

  • CAS No. 205114-14-3

  • Cat. No. CS-0139219
  • Purity≥98%
  • MDL No.MFCD18086942

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

3-Bromoquinoline-6-carboxylic acid|CS-0139219

Structure of 205114-14-3

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General Information

  • CAS No. 205114-14-3
  • Cat. No. CS-0139219
  • Purity ≥98%
  • MDL No. MFCD18086942
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆BrNO₂
  • Molecular Weight 252.06
  • Synonym(s) 3-Bromo-6-quinolinecarboxylic acid
  • SMILES O=C(C1=CC=C2N=CC(Br)=CC2=C1)O

Description

3-Bromoquinoline-6-carboxylic acid features a bromine substituent at the 3-position and a carboxylic acid group at the 6-position of the quinoline core. This combination enables direct functionalization in cross-coupling reactions and facilitates conjugation to biomolecules or polymer backbones via amide bond formation. The electron-deficient quinoline scaffold enhances reactivity in transition metal-catalyzed transformations, while the bench-stable carboxylic acid serves as a versatile handle for downstream derivatization under standard conditions.

Application

3-Bromoquinoline-6-carboxylic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid functionality supports derivatization via amide formation or esterification. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

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

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.6955
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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