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CS-W001157 4
Total: USD 88.00

4-Fluoro-N-methylaniline

  • CAS No. 459-59-6

  • Cat. No. CS-0130518
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD00017942

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

4-Fluoro-N-methylaniline|CS-0130518

Structure of 459-59-6

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General Information

  • CAS No. 459-59-6
  • Cat. No. CS-0130518
  • Purity ≥95%
  • MDL No. MFCD00017942
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈FN
  • Molecular Weight None
  • Synonym(s) P-FLUORO-N-METHYLANILINE
  • SMILES CNC1=CC=C(C=C1)F

Description

4-Fluoro-N-methylaniline was used as a model compound to study the in vivo and in vitro biotransformation of secondary aromatic amines.

Application

4-Fluoro-N-methylaniline serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated aromatic amine motifs into bioactive molecules. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient synthesis of pharmaceutical intermediates. The N-methyl group enhances metabolic stability while maintaining favorable reactivity in electrophilic substitution and Suzuki-Miyaura cross-coupling processes.

Synthesis

  • Route1
    • null|null
      371-40-4
    • null|null
      74-88-4
    • ~%
    • In-stock
      4-Fluoro-N-methylaniline|CS-0130518
      459-59-6

    References

    • Piras, Sandra; Carta, Antonio; Briguglio, Irene; Corona, Paola; Paglietti, Giuseppe; Luciani, Rosaria; Costi, Maria Paola; Ferrari, Stefania European Journal of Medicinal Chemistry, 2014 , vol. 75, p. 169 - 183
  • Route2
    • N-(4-Fluorophenyl)formamide|CS-0622200
      459-25-6
    • ~75%
    • 4-Fluoro-N,N-dimethylaniline|CS-0452170
      403-46-3
    • In-stock
      4-Fluoro-N-methylaniline|CS-0130518
      459-59-6
    • null|null
      371-40-4

    References

    • Zakrzewska; Kolehmainen; Osmialowski; Gawinecki Journal of Fluorine Chemistry, 2001 , vol. 111, # 1 p. 1 - 10
  • Route3
    • N-(4-Fluorophenyl)formamide|CS-0622200
      459-25-6
    • ~%
    • In-stock
      4-Fluoro-N-methylaniline|CS-0130518
      459-59-6

    References

    • Bishop, Michael J.; Garrido, Dulce M.; Boswell, G. Evan; Collins, Mark A.; Harris, Philip A.; McNutt, Robert W.; O'Neill, Scott J.; Wei, Ke; Chang, Kwen-Jen Journal of Medicinal Chemistry, 2003 , vol. 46, # 4 p. 623 - 633

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H317-H318-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P333+P313-P362-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.8674
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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