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CS-W001157 4
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1,3-Dibromo-2-methoxy-5-methylbenzene

  • CAS No. 51699-89-9

  • Cat. No. CS-0168197
  • Purity≥95%
  • MDL No.MFCD00196821

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

1,3-Dibromo-2-methoxy-5-methylbenzene|CS-0168197

Structure of 51699-89-9

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General Information

  • CAS No. 51699-89-9
  • Cat. No. CS-0168197
  • Purity ≥95%
  • MDL No. MFCD00196821
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈Br₂O
  • Molecular Weight None
  • Synonym(s) 2,6-Dibromo-4-methylanisole
  • SMILES CC1=CC(Br)=C(OC)C(Br)=C1

Description

1,3-Dibromo-2-methoxy-5-methylbenzene features a uniquely substituted aromatic core with bromine atoms at electron-rich positions, enabling direct functionalization in cross-coupling reactions. The methoxy and methyl groups enhance solubility and stabilize reactive intermediates under standard conditions. This bench-stable compound serves as a modular scaffold for synthesizing complex heterocycles and functionalized aryl systems in medicinal chemistry and materials science applications.

Application

1,3-Dibromo-2-methoxy-5-methylbenzene serves as a versatile ortho-brominated aromatic building block for Suzuki-Miyaura and Stille coupling reactions. The methoxy and methyl groups provide regioselective electronic control, while the bromides enable sequential functionalization. Bench-stable and readily purified by flash chromatography, it functions effectively in the synthesis of substituted biaryls and heterocyclic scaffolds relevant to medicinal chemistry and materials science.

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-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.52862
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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