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CS-W001157 4
Total: USD 88.00

4-Borono-2-methoxybenzoic acid

  • CAS No. 851335-12-1

  • Cat. No. CS-0047533
  • Purity≥98%
  • MDL No.MFCD06656278

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

4-Borono-2-methoxybenzoic acid|CS-0047533

Structure of 851335-12-1

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General Information

  • CAS No. 851335-12-1
  • Cat. No. CS-0047533
  • Purity ≥98%
  • MDL No. MFCD06656278
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BO₅
  • Molecular Weight 195.97
  • Synonym(s) benzoic acid, 4-borono-2-methoxy-
  • SMILES O=C(O)C1=CC=C(B(O)O)C=C1OC

Description

4-Borono-2-methoxybenzoic acid features a boronate group flanked by electron-rich methoxy and carboxylic acid functionalities, enabling selective conjugation in bioorthogonal chemistry. This bench-stable scaffold integrates readily into probe design for targeted labeling applications.

Application

4-Borono-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura coupling. The boronic acid group exhibits good stability and compatibility with common functional groups, while the ortho-methoxy substituent enhances solubility and modulates electronic properties. Its utility in constructing biaryl scaffolds and heterocyclic systems makes it a practical choice for API synthesis and library generation.

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   86.99
  • LogP   -0.9268
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   3

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