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CS-W001157 4
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Methyl 4-bromo-2-hydroxybenzoate

  • CAS No. 22717-56-2

  • Cat. No. CS-W004803
  • Purity≥96%
  • MDL No.MFCD07780736

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

Methyl 4-bromo-2-hydroxybenzoate|CS-W004803

Structure of 22717-56-2

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General Information

  • CAS No. 22717-56-2
  • Cat. No. CS-W004803
  • Purity ≥96%
  • MDL No. MFCD07780736
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₃
  • Molecular Weight 231.04
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=C(Br)C=C1O

Description

Methyl 4-bromo-2-hydroxybenzoate features a bromine substituent at the para position and a hydroxyl group at the ortho position relative to the ester, creating a uniquely functionalized aromatic scaffold. This combination enables selective derivatization in synthetic pathways requiring both electron-withdrawing and hydrogen-bonding functionalities. The compound exhibits good stability under standard bench conditions and facilitates efficient coupling reactions in medicinal chemistry applications.

Application

Methyl 4-bromo-2-hydroxybenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to substituted benzene scaffolds. The molecule combines a bromo group for palladium-catalyzed cross-coupling reactions and a hydroxyl group for derivatization or protection, while the ester functionality supports further transformations. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable use in multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.9413
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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