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CS-W001157 4
Total: USD 88.00

2-Formylquinoline-6-carboxylic acid

  • CAS No. 904885-87-6

  • Cat. No. CS-0269436
  • Purity≥97%
  • MDL No.MFCD06824159

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

2-Formylquinoline-6-carboxylic acid|CS-0269436

Structure of 904885-87-6

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General Information

  • CAS No. 904885-87-6
  • Cat. No. CS-0269436
  • Purity ≥97%
  • MDL No. MFCD06824159
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇NO₃
  • Molecular Weight 201.18
  • Synonym(s) None
  • SMILES C1=CC(=NC2=CC=C(C=C12)C(=O)O)C=O

Description

2-Formylquinoline-6-carboxylic acid features a dual functional group architecture with an aldehyde and carboxylic acid positioned ortho to each other on a quinoline scaffold. This arrangement enables direct coupling or cyclization reactions in synthetic pathways. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions, facilitating its use in transition metal-catalyzed transformations and heterocyclic scaffold elaboration.

Application

2-Formylquinoline-6-carboxylic acid serves as a versatile bifunctional building block in medicinal chemistry and materials science, enabling direct incorporation into heterocyclic scaffolds via condensation, cyclization, or cross-coupling reactions. The ortho-positioned aldehyde and carboxylic acid groups exhibit complementary reactivity, facilitating efficient derivatization under standard conditions. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthesis campaigns requiring functional group compatibility and structural precision.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   67.26
  • LogP   1.7455
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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