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CS-W001157 4
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Methyl 5-bromo-2-methoxybenzoate

  • CAS No. 7120-41-4

  • Cat. No. CS-0022392
  • Purity≥95%
  • MDL No.MFCD06203656

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

Methyl 5-bromo-2-methoxybenzoate|CS-0022392

Structure of 7120-41-4

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General Information

  • CAS No. 7120-41-4
  • Cat. No. CS-0022392
  • Purity ≥95%
  • MDL No. MFCD06203656
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₃
  • Molecular Weight 245.07
  • Synonym(s) Benzoic acid, 5-bromo-2-methoxy-, methyl ester
  • SMILES O=C(OC)C1=CC(Br)=CC=C1OC

Description

Methyl 5-bromo-2-methoxybenzoate is a bench-stable, moisture-tolerant aryl halide featuring a bromine at the C5 position and a methoxy group at C2. This electronic asymmetry enables selective cross-coupling reactions in synthetic sequences. The methyl ester facilitates downstream derivatization while maintaining structural integrity under standard conditions.

Application

Methyl 5-bromo-2-methoxybenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine handle. The methoxy group provides ortho-directing capability and enhances solubility, while the methyl ester facilitates subsequent functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex aromatic scaffolds in medicinal chemistry and materials science applications.

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   35.53
  • LogP   2.2443
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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