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CS-W001157 4
Total: USD 88.00

2-(Difluoromethoxy)aniline

  • CAS No. 22236-04-0

  • Cat. No. CS-W000347
  • Purity≥98%
  • MDL No.MFCD00190104

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

2-(Difluoromethoxy)aniline|CS-W000347

Structure of 22236-04-0

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General Information

  • CAS No. 22236-04-0
  • Cat. No. CS-W000347
  • Purity ≥98%
  • MDL No. MFCD00190104
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₂NO
  • Molecular Weight 159.13
  • Synonym(s) None
  • SMILES NC1=CC=CC=C1OC(F)F

Description

2-(Difluoromethoxy)aniline features a difluoromethoxy group attached to the aromatic ring, delivering enhanced metabolic stability and improved lipophilicity compared to simpler anilines. This electron-withdrawing substituent imparts favorable electronic properties for use in medicinal chemistry and agrochemical development. The compound exhibits bench-stable handling characteristics and integrates readily into diverse synthetic transformations.

Application

2-(Difluoromethoxy)aniline serves as a valuable building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable difluoromethoxy group at the ortho position of an aromatic amine. Its robust bench stability and compatibility with standard coupling reactions facilitate efficient incorporation into diverse heterocyclic scaffolds and API intermediates. Functions as a key precursor for bioactive molecules requiring enhanced lipophilicity and metabolic resistance.

Synthesis

  • Route1

    References

    • Journal of Pharmaceutical Sciences, , vol. 78, # 7 p. 585 - 588
  • Route2
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    • In-stock
      2-(Difluoromethoxy)aniline|CS-W000347
      22236-04-0

    References

    • Journal of Pharmaceutical Sciences, , vol. 78, # 7 p. 585 - 588

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302+H312+H332
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P501

Quality Control

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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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