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CS-W001157 4
Total: USD 88.00

2-Bromo-3,4-dimethoxybenzoic acid

  • CAS No. 71568-87-1

  • Cat. No. CS-0150638
  • Purity≥98%
  • MDL No.MFCD21340340

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

2-Bromo-3,4-dimethoxybenzoic acid|CS-0150638

Structure of 71568-87-1

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General Information

  • CAS No. 71568-87-1
  • Cat. No. CS-0150638
  • Purity ≥98%
  • MDL No. MFCD21340340
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₄
  • Molecular Weight 261.07
  • Synonym(s) Benzoic acid,2-bromo-3,4-dimethoxy
  • SMILES COC1=C(C(=C(C=C1)C(=O)O)Br)OC

Description

2-Bromo-3,4-dimethoxybenzoic acid features a bromine substituent flanked by two methoxy groups on a benzoic acid scaffold, delivering enhanced electron density and improved solubility in organic media. This combination enables efficient coupling reactions in synthetic routes to bioactive molecules.

Application

2-Bromo-3,4-dimethoxybenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its bromine and carboxylic acid functionalities enable direct coupling reactions via Suzuki, Stille, or Buchwald–Hartwig protocols. The dimethoxy substitution pattern provides enhanced solubility and stability, facilitating purification and scalability in multi-step syntheses.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.1645
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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