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CS-W001157 4
Total: USD 88.00

3-(Difluoromethoxy)aniline

  • CAS No. 22236-08-4

  • Cat. No. CS-W008180
  • Purity≥97%
  • MDL No.MFCD00236221

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

3-(Difluoromethoxy)aniline|CS-W008180

Structure of 22236-08-4

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General Information

  • CAS No. 22236-08-4
  • Cat. No. CS-W008180
  • Purity ≥97%
  • MDL No. MFCD00236221
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₂NO
  • Molecular Weight 159.13
  • Synonym(s) α,α-Difluoro-m-anisidine
  • SMILES FC(OC1=CC=CC(=C1)N)F

Description

3-(Difluoromethoxy)aniline features a difluoromethoxy group positioned ortho to the amino functionality, imparting enhanced metabolic stability and modulated electronic properties. This electron-withdrawing substituent improves solubility in polar solvents while maintaining compatibility with standard coupling reactions. The molecule serves as a valuable building block for pharmaceutical intermediates and functional materials requiring controlled lipophilicity and reactivity.

Application

3-(Difluoromethoxy)aniline serves as a valuable building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable difluoromethoxy group at the meta position of an aromatic ring. Its robust bench stability and compatibility with standard coupling reactions facilitate efficient synthesis of bioactive heterocycles and pharmaceutical intermediates.

Synthesis

  • Route1
    • 3-(Chlorodifluoromethoxy)aniline|CS-1567122
      39065-91-3
    • ~92%
    • In-stock
      3-(Difluoromethoxy)aniline|CS-W008180
      22236-08-4

    References

    • Hagooly, Youlia; Cohen, Or; Rozen, Shlomo Tetrahedron Letters, 2009 , vol. 50, # 4 p. 392 - 394

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   1.8702
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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