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CS-W001157 4
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5-Fluoro-2-formylbenzoic acid

  • CAS No. 920481-01-2

  • Cat. No. CS-0045084
  • Purity≥96%
  • MDL No.MFCD11053106

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

5-Fluoro-2-formylbenzoic acid|CS-0045084

Structure of 920481-01-2

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General Information

  • CAS No. 920481-01-2
  • Cat. No. CS-0045084
  • Purity ≥96%
  • MDL No. MFCD11053106
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FO₃
  • Molecular Weight 168.12
  • Synonym(s) 5-fluoro-2-formyl-benzoic acid
  • SMILES O=C(O)C1=CC(F)=CC=C1C=O

Description

5-Fluoro-2-formylbenzoic acid features a formyl group ortho to a carboxylic acid and a fluorine substituent at the para position, enabling strategic functionalization in synthetic routes. This electron-deficient scaffold integrates readily into complex molecular architectures under standard conditions.

Application

5-Fluoro-2-formylbenzoic acid serves as a versatile building block for medicinal chemistry and materials synthesis, combining an electron-withdrawing fluorine atom with orthogonal aldehyde and carboxylic acid functionalities. The molecule enables direct coupling reactions, facilitates efficient derivatization via formyl group transformations, and supports the construction of biologically relevant heterocycles and pharmaceutically active scaffolds. Its bench-stable nature and compatibility with standard purification methods make it well-suited for scalable synthetic workflows.

Synthesis

  • Route1
    • 5-Fluoro-2-(hydroxymethyl)benzoic acid|CS-0531983
      1341091-61-9
    • ~42%
    • In-stock
      5-Fluoro-2-formylbenzoic acid|CS-0045084
      920481-01-2

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LIU, Chunjian; LIN, James; DELUCCA, George V.; BATT, Douglas G.; LIU, Qingjie Patent: WO2011/159857 A1, 2011 ; Location in patent: Page/Page column 91-92 ; WO 2011/159857 A1
  • Route2
    • methyl 2-(bromomethyl)-5-fluorobenzoate|CS-0005237
      138786-65-9
    • ~%
    • In-stock
      5-Fluoro-2-formylbenzoic acid|CS-0045084
      920481-01-2

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LIU, Chunjian; LIN, James; DELUCCA, George V.; BATT, Douglas G.; LIU, Qingjie Patent: WO2011/159857 A1, 2011 ; WO 2011/159857 A1
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LIU, Chunjian; LIN, James; DELUCCA, George V.; BATT, Douglas G.; LIU, Qingjie Patent: WO2011/159857 A1, 2011 ; WO 2011/159857 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

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.3364
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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