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CS-W001157 4
Total: USD 88.00

2-Chloro-5-fluoronicotinic acid

  • CAS No. 38186-88-8

  • Cat. No. CS-W007407
  • Purity≥98%
  • MDL No.MFCD03092932

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

2-Chloro-5-fluoronicotinic acid|CS-W007407

Structure of 38186-88-8

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General Information

  • CAS No. 38186-88-8
  • Cat. No. CS-W007407
  • Purity ≥98%
  • MDL No. MFCD03092932
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFNO₂
  • Molecular Weight 175.55
  • Synonym(s) 2-Butanone, 1,1,1-trifluoro-
  • SMILES ClC1=C(C(=O)O)C=C(C=N1)F

Description

2-Chloro-5-fluoronicotinic acid features a strategically positioned chloro and fluoro substituent on the nicotinic acid scaffold, enhancing electron deficiency and metabolic stability. This configuration supports direct incorporation into bioactive heterocycles, enabling efficient access to pharmaceutical intermediates under standard conditions.

Application

2-Chloro-5-fluoronicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-halogenated pyridine core facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group allows for direct derivatization or incorporation into peptide-like scaffolds. The molecule exhibits good bench stability and functional group tolerance, supporting efficient purification and integration into multi-step synthetic sequences.

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2008/112642 A1, 2008 ; Location in patent: Page/Page column 50; 50-51 ; WO 2008/112642 A1
  • Route2

    References

    • Zhang, Yinsheng; Jian, Zhigang; Stolle, Wayne T. Journal of Labelled Compounds and Radiopharmaceuticals, 2011 , vol. 54, # 7 p. 382 - 386
  • Route3
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      1316084-72-6
    • ~%
    • In-stock
      2-Chloro-5-fluoronicotinic acid|CS-W007407
      38186-88-8

    References

    • Zhang, Yinsheng; Jian, Zhigang; Stolle, Wayne T. Journal of Labelled Compounds and Radiopharmaceuticals, 2011 , vol. 54, # 7 p. 382 - 386

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.5723
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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