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CS-W001157 4
Total: USD 88.00

4-Methyl-3-(trifluoromethyl)aniline

  • CAS No. 65934-74-9

  • Cat. No. CS-W017462
  • Purity≥98%
  • MDL No.MFCD01631582

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

4-Methyl-3-(trifluoromethyl)aniline|CS-W017462

Structure of 65934-74-9

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General Information

  • CAS No. 65934-74-9
  • Cat. No. CS-W017462
  • Purity ≥98%
  • MDL No. MFCD01631582
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃N
  • Molecular Weight 175.15
  • Synonym(s) tert-butyl 1,1,2,2-tetrafluoroethyl ether
  • SMILES NC1=CC=C(C)C(C(F)(F)F)=C1

Description

4-Methyl-3-(trifluoromethyl)aniline may be used as a starting reagent in the synthesis of tert-butyl 4-methyl-3-(trifluoromethyl)phenylcarbamate.

Application

4-Methyl-3-(trifluoromethyl)aniline serves as a valuable building block in medicinal chemistry, enabling the synthesis of diverse heterocyclic scaffolds and bioactive molecules. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the methyl substituent provides a handle for further functionalization. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient access to target architectures in API development.

Synthesis

  • Route1

    References

    • WO2007/104538 A1, ; Page/Page column 64 ; WO 2007/104538 A1
  • Route2
    • null|null
      823-96-1
    • 4-Bromo-3-(trifluoromethyl)aniline (Bicalutamide  Impurity)|CS-0228847
      393-36-2
    • ~93%
    • In-stock
      4-Methyl-3-(trifluoromethyl)aniline|CS-W017462
      65934-74-9

    References

    • Gray; Andrews; Hook; Kitteringham; Voyle Tetrahedron Letters, 2000 , vol. 41, # 32 p. 6237 - 6240
  • Route3
    • null|null
      56-23-5
    • null|null
      106-49-0
    • ~82%
    • In-stock
      4-Methyl-3-(trifluoromethyl)aniline|CS-W017462
      65934-74-9

    References

    • Debarge, Sebastien; Violeau, Bruno; Bendaoud, Nohair; Jacquesy, Jean-Claude Tetrahedron Letters, 2003 , vol. 44, # 9 p. 1747 - 1750

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   2.59602
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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