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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-methylbenzaldehyde

  • CAS No. 63082-45-1

  • Cat. No. CS-W002936
  • Purity≥95%
  • MDL No.MFCD02261764

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

4-Fluoro-2-methylbenzaldehyde|CS-W002936

Structure of 63082-45-1

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General Information

  • CAS No. 63082-45-1
  • Cat. No. CS-W002936
  • Purity ≥95%
  • MDL No. MFCD02261764
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO
  • Molecular Weight 138.14
  • Synonym(s) None
  • SMILES CC1=CC(F)=CC=C1C=O

Description

4-Fluoro-2-methylbenzaldehyde features a fluorine atom at the para position and a methyl group at the ortho position relative to the aldehyde, creating a uniquely electron-deficient aromatic ring. This combination enhances reactivity in electrophilic substitution and facilitates efficient coupling in synthetic routes requiring directed functionalization. The aldehyde group enables direct incorporation into imines, hydrazones, and other carbonyl-derived scaffolds. Its bench-stable nature supports reliable handling under standard conditions.

Application

4-Fluoro-2-methylbenzaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles, biaryls, and heterocyclic scaffolds via standard coupling and condensation reactions. Its ortho-methyl and para-fluoro substituents provide enhanced reactivity in electrophilic aromatic substitution and facilitate downstream functionalization through directed ortho-metalation. The aldehyde functionality offers reliable access to imines, oximes, and hydrazones, while the compound exhibits good bench stability and ease of purification.

Synthesis

  • Route1
    • null|null
      452-63-1
    • null|null
      68-12-2
    • ~90%
    • In-stock
      4-Fluoro-2-methylbenzaldehyde|CS-W002936
      63082-45-1

    References

    • PFIZER PRODUCTS INC. Patent: WO2004/110996 A1, 2004 ; Location in patent: Page/Page column 17-18 ; WO 2004/110996 A1
  • Route2
    • In-stock
      3-Bromo-5-fluorotoluene|CS-W002837
      202865-83-6
    • null|null
      68-12-2
    • ~41%
    • In-stock
      4-Fluoro-2-methylbenzaldehyde|CS-W002936
      63082-45-1

    References

    • GLAXO GROUP LIMITED Patent: WO2008/148853 A1, 2008 ; Location in patent: Page/Page column 169-170 ; WO 2008/148853 A1
  • Route3
    • null|null
      95-52-3
    • null|null
      201230-82-2
    • ~%
    • In-stock
      4-Fluoro-2-methylbenzaldehyde|CS-W002936
      63082-45-1
    • In-stock
      2-Fluoro-4-methylbenzaldehyde|CS-W016507
      146137-80-6

    References

    • EP1544189 A1, ; Page/Page column 6 ;

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   17.07
  • LogP   1.94662
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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