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CS-W001157 4
Total: USD 88.00

4-Hydroxy-2-methylbenzeneboronic acid

  • CAS No. 493035-82-8

  • Cat. No. CS-W000945
  • Purity≥98%
  • MDL No.MFCD03788424

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

4-Hydroxy-2-methylbenzeneboronic acid|CS-W000945

Structure of 493035-82-8

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General Information

  • CAS No. 493035-82-8
  • Cat. No. CS-W000945
  • Purity ≥98%
  • MDL No. MFCD03788424
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉BO₃
  • Molecular Weight 151.96
  • Synonym(s) boronic acid, B-(4-hydroxy-2-methylphenyl)-
  • SMILES Oc1ccc(c(c1)C)B(O)O

Description

4-Hydroxy-2-methylbenzeneboronic acid features a boronic acid group ortho to a phenolic hydroxyl, enabling efficient Suzuki-Miyaura coupling under mild conditions. The methyl substituent enhances stability and modulates electronic properties, while the hydroxyl group facilitates solubility and directional coordination in complex synthesis. This compound serves as a key building block for bioactive heterocycles and functionalized arenes in medicinal chemistry and materials science.

Application

4-Hydroxy-2-methylbenzeneboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds. Its ortho-hydroxyl group enhances solubility and facilitates directed functionalization, while the boronic acid moiety offers reliable reactivity under mild conditions. The methyl group provides steric control and metabolic stability, making this compound valuable for medicinal chemistry and materials synthesis.

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   60.69
  • LogP   -0.61958
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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