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CS-W001157 4
Total: USD 88.00

4-Borono-2-methylbenzoic acid

  • CAS No. 191089-06-2

  • Cat. No. CS-0174732
  • Purity≥98%
  • MDL No.MFCD09037832

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

4-Borono-2-methylbenzoic acid|CS-0174732

Structure of 191089-06-2

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General Information

  • CAS No. 191089-06-2
  • Cat. No. CS-0174732
  • Purity ≥98%
  • MDL No. MFCD09037832
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BO₄
  • Molecular Weight None
  • Synonym(s) 4-Carboxy-3-methylphenylboronic acid
  • SMILES CC1=CC(B(O)O)=CC=C1C(O)=O

Description

4-Borono-2-methylbenzoic acid features a boronate moiety ortho to a carboxylic acid and flanked by a methyl group, enabling selective transformations in Suzuki-Miyaura coupling. This bench-stable, moisture-tolerant reagent integrates readily into bioconjugation and medicinal chemistry workflows.

Application

4-Borono-2-methylbenzoic acid serves as a versatile building block for Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The boronic acid group exhibits excellent bench stability and functional group tolerance, while the carboxylic acid facilitates downstream derivatization via amide formation or esterification. Its ortho-methyl substituent enhances regiochemical control in coupling processes and contributes to improved metabolic stability in medicinal chemistry applications.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   77.76
  • LogP   -0.62698
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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