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CS-W001157 4
Total: USD 88.00

4-Methyl-2-(trifluoromethyl)aniline

  • CAS No. 87617-23-0

  • Cat. No. CS-0169344
  • Molecule weight175.15
  • Purity≥98%
  • MDL No.None

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

4-Methyl-2-(trifluoromethyl)aniline|CS-0169344

Structure of 87617-23-0

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General Information

  • CAS No. 87617-23-0
  • Cat. No. CS-0169344
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃N
  • Molecular Weight 175.15
  • Synonym(s) 4-METHYL-2-TRIFLUOROMETHYL-PHENYLAMINE
  • SMILES FC(F)(F)C1=CC(C)=CC=C1N

Description

4-Methyl-2-(trifluoromethyl)aniline features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the methyl substituent provides steric bulk. This combination enables selective reactivity in cross-coupling and electrophilic substitution reactions under standard conditions. The molecule exhibits improved solubility in organic solvents and is bench-stable for routine handling in synthetic workflows.

Application

4-Methyl-2-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds and functionalized aryl derivatives. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the methyl substituent provides a handle for further derivatization. The compound exhibits good bench stability and compatibility with standard coupling reactions, facilitating efficient synthesis of complex intermediates.

Synthesis

  • Route1
    • null|null
      75-63-8
    • null|null
      106-49-0
    • ~30%
    • In-stock
      4-Methyl-2-(trifluoromethyl)aniline|CS-0169344
      87617-23-0

    References

    • Wakselman, Claude; Tordeux, Marc Journal of the Chemical Society, Chemical Communications, 1987 , p. 1701 - 1703
  • Route2
    • 4-nitro-3-(trifluoromethyl)toluene|CS-0208131
      87617-21-8
    • ~%
    • In-stock
      4-Methyl-2-(trifluoromethyl)aniline|CS-0169344
      87617-23-0

    References

    • US4749813 A1, ;
  • Route3
    • null|null
      108-48-5
    • null|null
      106-49-0
    • ~30%
    • In-stock
      4-Methyl-2-(trifluoromethyl)aniline|CS-0169344
      87617-23-0

    References

    • Rhone-Poulenc Specialites Chimiques Patent: US4731450 A1, 1988 ;

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-H312-H315-H319-H332
Precautionary Statements : P262-P280-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.59602
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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