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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethoxy)aniline

  • CAS No. 461-82-5

  • Cat. No. CS-W017380
  • Purity≥98%
  • MDL No.MFCD00041314

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

4-(Trifluoromethoxy)aniline|CS-W017380

Structure of 461-82-5

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General Information

  • CAS No. 461-82-5
  • Cat. No. CS-W017380
  • Purity ≥98%
  • MDL No. MFCD00041314
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃NO
  • Molecular Weight 177.13
  • Synonym(s) None
  • SMILES FC(F)(OC1=CC=C(N)C=C1)F

Description

4-(Trifluoromethoxy)aniline was used in the synthesis of:side-group liquid-crystalline polymethacrylates with fluorine-containing mesogensderivatives of 3-(quinolin-3-yl)acrylatesseries of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves

Application

4-(Trifluoromethoxy)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of electron-withdrawing trifluoromethoxy groups into aromatic scaffolds. Its aniline functionality facilitates nucleophilic substitution, palladium-catalyzed coupling reactions, and electrophilic functionalization under standard conditions. The compound exhibits good bench stability and compatibility with common protecting group strategies, supporting efficient route development for complex heterocyclic systems and API intermediates.

Synthesis

  • Route1

    References

    • Kislyi; Tolkacheva; Semenov Russian Journal of Organic Chemistry, 2002 , vol. 38, # 2 p. 269 - 271
  • Route2

    References

    • Cheung, Chi Wai; Surry, David S.; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 14 p. 3734 - 3737
  • Route3
    • null|null
      82050-00-8
    • ~59%
    • In-stock
      4-(Trifluoromethoxy)aniline|CS-W017380
      461-82-5

    References

    • Rambabu; Bhavani; Swamy, Nalivela Kumara; Basaveswara Rao; Pal, Manojit Tetrahedron Letters, 2013 , vol. 54, # 9 p. 1169 - 1173

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06,GHS08
Signal Word : Danger
UN#: 2941
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H227-H301-H310-H315-H318-H373
Precautionary Statements : P210-P260-P262-P264-P270-P280-P302+P352-P330-P361+P364-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.1674
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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