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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-methylaniline

  • CAS No. 452-69-7

  • Cat. No. CS-W013513
  • Purity≥97%
  • MDL No.MFCD00025294

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

4-Fluoro-3-methylaniline|CS-W013513

Structure of 452-69-7

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General Information

  • CAS No. 452-69-7
  • Cat. No. CS-W013513
  • Purity ≥97%
  • MDL No. MFCD00025294
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈FN
  • Molecular Weight 125.15
  • Synonym(s) Fluoromethylaniline6
  • SMILES C1=C(C(=CC=C1N)F)C

Description

4-Fluoro-3-methylaniline features a fluorinated aromatic ring paired with adjacent methyl and amino groups, delivering enhanced electron density at the para-position. This configuration supports efficient coupling reactions in pharmaceutical synthesis, where its stability under standard conditions enables reliable incorporation into complex molecular architectures.

Application

4-Fluoro-3-methylaniline serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard coupling reactions. Its ortho-methyl and meta-fluoro substituents provide directed functionalization potential and enhanced metabolic stability. The compound exhibits good bench stability, facilitates straightforward purification, and functions effectively in amide formation, Suzuki-Miyaura couplings, and heterocycle construction within established synthetic workflows.

Synthesis

  • Route1

    References

    • Varma; Raman; Nilkantiah Journal of the Indian Chemical Society, 1944 , vol. 21, p. 112,114
  • Route2
    • null|null
      125620-28-2
    • In-stock
      5-Nitro-2-fluorotoluene|CS-W020035
      455-88-9
    • ~%
    • In-stock
      4-Fluoro-3-methylaniline|CS-W013513
      452-69-7

    References

    • Abbott Laboratories Patent: US6162927 A1, 2000 ; US 6162927 A
  • Route3
    • null|null
      99-08-1
    • ~45%
    • In-stock
      4-Fluoro-3-methylaniline|CS-W013513
      452-69-7
    • null|null
      108-44-1

    References

    • Tordeux, Marc; Wakselman, Claude Journal of Fluorine Chemistry, 1995 , vol. 74, # 2 p. 251 - 254

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.71632
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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