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CS-W001157 4
Total: USD 88.00

4-Bromo-3,5-dimethylaniline

  • CAS No. 59557-90-3

  • Cat. No. CS-W020003
  • Purity≥95%
  • MDL No.MFCD07780648

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

4-Bromo-3,5-dimethylaniline|CS-W020003

Structure of 59557-90-3

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General Information

  • CAS No. 59557-90-3
  • Cat. No. CS-W020003
  • Purity ≥95%
  • MDL No. MFCD07780648
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀BrN
  • Molecular Weight 200.08
  • Synonym(s) Benzenamine, 4-bromo-3,5-dimethyl-
  • SMILES NC1=CC(C)=C(Br)C(C)=C1

Application

4-Bromo-3,5-dimethylaniline serves as a valuable building block in the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its electron-rich aromatic core, combined with orthogonal bromo and amino functionalities, enables efficient late-stage diversification via Pd-catalyzed cross-coupling and electrophilic substitution. The dimethyl substitution enhances stability and solubility, facilitating handling and purification in routine synthetic workflows.

Synthesis

  • Route1
    • null|null
      108-69-0
    • ~97%
    • In-stock
      4-Bromo-3,5-dimethylaniline|CS-W020003
      59557-90-3

    References

    • Toyota, Kozo; Kawasaki, Subaru; Yoshifuji, Masaaki Journal of Organic Chemistry, 2004 , vol. 69, # 15 p. 5065 - 5070
  • Route2
    • N-(4-Bromo-3,5-dimethylphenyl)acetamide|CS-0116774
      64835-48-9
    • ~81%
    • In-stock
      4-Bromo-3,5-dimethylaniline|CS-W020003
      59557-90-3

    References

    • Rodriguez, Gema; Albrecht, Martin; Schoenmaker, Jeroen; Ford, Alan; Lutz, Martin; Spek, Anthony L.; Van Koten, Gerard Journal of the American Chemical Society, 2002 , vol. 124, # 18 p. 5127 - 5138
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 62, p. 2995,3001

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H335-H373
Precautionary Statements : P260-P271-P304+P340-P312-P314-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.64814
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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