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CS-W001157 4
Total: USD 88.00

4-Bromo-3,5-dimethylbenzaldehyde

  • CAS No. 400822-47-1

  • Cat. No. CS-W006250
  • Purity≥98%
  • MDL No.MFCD08063822

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

4-Bromo-3,5-dimethylbenzaldehyde|CS-W006250

Structure of 400822-47-1

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General Information

  • CAS No. 400822-47-1
  • Cat. No. CS-W006250
  • Purity ≥98%
  • MDL No. MFCD08063822
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO
  • Molecular Weight 213.07
  • Synonym(s) 3,5-dimethyl-4-bromobenzaldehyde
  • SMILES CC1=CC(C=O)=CC(C)=C1Br

Description

Brucine is used as a denaturing alcohol, lubricant additive, separation of racemic mixtures. Proposed to reduce inflammatory mediators including COX-2, PGE2 and thromboxane B2. Able to induce cell apoptosis, with cytotoxic and antiproliferative effects.

Application

4-Bromo-3,5-dimethylbenzaldehyde serves as a versatile building block in medicinal chemistry and materials synthesis, enabling efficient access to substituted aromatic systems. Its aldehyde functionality facilitates nucleophilic additions, reductive aminations, and condensation reactions, while the bromo group supports palladium-catalyzed cross-couplings. The methyl groups enhance steric shielding and improve bench stability, simplifying purification and enabling scalable transformations in standard laboratory workflows.

Synthesis

  • Route1
    • In-stock
      2,5-Dibromo-1,3-dimethylbenzene|CS-0040144
      100189-84-2
    • null|null
      68-12-2
    • ~79%
    • In-stock
      4-Bromo-3,5-dimethylbenzaldehyde|CS-W006250
      400822-47-1

    References

    • Beinhoff, Matthias; Weigel, Wilfried; Jurczok, Martin; Rettig, Wolfgang; Modrakowski, Claudia; Bruedgam, Irene; Hartl, Hans; Schlueter, A. Dieter European Journal of Organic Chemistry, 2001 , # 20 p. 3819 - 3829
  • Route2

    References

    • Actelion Pharmaceuticals Ltd. Patent: EP1863475 B1, 2011 ;

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.87844
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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