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CS-W001157 4
Total: USD 88.00

(3,5-Difluoro-4-nitrophenyl)methanol

  • CAS No. 1123172-89-3

  • Cat. No. CS-W006483
  • Purity≥97%
  • MDL No.MFCD18633079

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

(3,5-Difluoro-4-nitrophenyl)methanol|CS-W006483

Structure of 1123172-89-3

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General Information

  • CAS No. 1123172-89-3
  • Cat. No. CS-W006483
  • Purity ≥97%
  • MDL No. MFCD18633079
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₂NO₃
  • Molecular Weight 189.12
  • Synonym(s) 3,5-Difluoro-4-nitrobenzyl Alcohol
  • SMILES OCC1=CC(F)=C([N+]([O-])=O)C(F)=C1

Description

This difluorinated nitroaryl methanol integrates a reactive benzylic alcohol with electron-withdrawing fluorine and nitro groups, enabling efficient coupling in cross-coupling and nucleophilic substitution reactions. The ortho-fluoro substituents enhance stability and direct regioselective functionalization.

Application

(3,5-Difluoro-4-nitrophenyl)methanol serves as a versatile building block for nitroaryl-based synthesis, enabling efficient functionalization via nucleophilic substitution and reduction. The ortho-fluorine substituents enhance reactivity in palladium-catalyzed coupling reactions, while the benzylic alcohol facilitates protection or derivatization. Bench-stable and compatible with standard purification protocols, it functions reliably in constructing heterocyclic scaffolds and pharmaceutical intermediates.

Synthesis

  • Route1
    • In-stock
      Methyl 3,5-difluoro-4-nitrobenzoate|CS-0134680
      1123172-87-1
    • ~10%
    • In-stock
      (3,5-Difluoro-4-nitrophenyl)methanol|CS-W006483
      1123172-89-3

    References

    • Rueeger, Heinrich; Lueoend, Rainer; Rogel, Olivier; Rondeau, Jean-Michel; Moebitz, Henrik; MacHauer, Rainer; Jacobson, Laura; Staufenbiel, Matthias; Desrayaud, Sandrine; Neumann, Ulf Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3364 - 3386
  • Route2

    References

    • Rueeger, Heinrich; Lueoend, Rainer; Rogel, Olivier; Rondeau, Jean-Michel; Moebitz, Henrik; MacHauer, Rainer; Jacobson, Laura; Staufenbiel, Matthias; Desrayaud, Sandrine; Neumann, Ulf Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3364 - 3386
  • Route3

    References

    • Rueeger, Heinrich; Lueoend, Rainer; Rogel, Olivier; Rondeau, Jean-Michel; Moebitz, Henrik; MacHauer, Rainer; Jacobson, Laura; Staufenbiel, Matthias; Desrayaud, Sandrine; Neumann, Ulf Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3364 - 3386

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.3653
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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