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CS-W001157 4
Total: USD 88.00

2-Methyl-4-(trifluoromethyl)aniline

  • CAS No. 67169-22-6

  • Cat. No. CS-W017463
  • Purity≥96%
  • MDL No.MFCD03701068

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

2-Methyl-4-(trifluoromethyl)aniline|CS-W017463

Structure of 67169-22-6

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General Information

  • CAS No. 67169-22-6
  • Cat. No. CS-W017463
  • Purity ≥96%
  • MDL No. MFCD03701068
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃N
  • Molecular Weight 175.15
  • Synonym(s) ZR B1 DXFFF [WLN]
  • SMILES NC1=CC=C(C(F)(F)F)C=C1C

Description

2-Methyl-4-(trifluoromethyl)aniline features a trifluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability, while the methyl substituent provides steric modulation. This combination enhances solubility in organic solvents and facilitates selective coupling reactions under mild conditions. The compound serves as a key building block in agrochemicals and pharmaceutical intermediates.

Application

2-Methyl-4-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of bioactive heterocycles via electrophilic substitution and coupling reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the ortho-methyl substituent provides steric and electronic modulation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences and scale-up applications.

Synthesis

  • Route1
    • 2-((Methylthio)methyl)-4-(trifluoromethyl)aniline|CS-1205508
      62639-14-9
    • ~85%
    • In-stock
      2-Methyl-4-(trifluoromethyl)aniline|CS-W017463
      67169-22-6

    References

    • PHARMACOPEIA, INC. Patent: WO2008/11392 A2, 2008 ; Location in patent: Page/Page column 39-40 ; WO 2008/011392 A2
  • Route2
    • null|null
      220107-42-6
    • ~99%
    • In-stock
      2-Methyl-4-(trifluoromethyl)aniline|CS-W017463
      67169-22-6

    References

    • Bristol-Myers Squibb Company Patent: US2009/18132 A1, 2009 ; Location in patent: Page/Page column 46 ; US 20090018132 A1
  • Route3

    References

    • WO2007/79186 A2, ; Page/Page column 98; 99 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-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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