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CS-W001157 4
Total: USD 88.00

3,6-Difluoro-2-methoxyaniline

  • CAS No. 1261677-79-5

  • Cat. No. CS-0525408
  • Purity≥98%
  • MDL No.None

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

3,6-Difluoro-2-methoxyaniline|CS-0525408

Structure of 1261677-79-5

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General Information

  • CAS No. 1261677-79-5
  • Cat. No. CS-0525408
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₂NO
  • Molecular Weight 159.13
  • Synonym(s) None
  • SMILES NC1=C(F)C=CC(F)=C1OC

Description

3,6-Difluoro-2-methoxyaniline features a fluorinated aromatic core with complementary electron-donating methoxy and electron-withdrawing fluoro substituents, enabling precise tuning of reactivity in cross-coupling and electrophilic substitution. This bench-stable derivative offers enhanced solubility and predictable regioselectivity for advanced synthetic applications.

Application

3,6-Difluoro-2-methoxyaniline serves as a valuable building block in medicinal chemistry, enabling direct introduction of fluorinated and methoxy functionalities into heterocyclic scaffolds. Its ortho-methoxy group enhances regioselectivity in electrophilic substitution, while the difluoro pattern improves metabolic stability and membrane permeability. The compound exhibits bench stability, tolerates common reaction conditions, and facilitates coupling reactions via its amine functionality, making it well-suited for API intermediate synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302-H312-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   1.5556
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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