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CS-W001157 4
Total: USD 88.00

3-Acetylphenylboronic acid

  • CAS No. 204841-19-0

  • Cat. No. CS-D1036
  • Purity≥97%
  • MDL No.MFCD01074678

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

3-Acetylphenylboronic acid|CS-D1036

Structure of 204841-19-0

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General Information

  • CAS No. 204841-19-0
  • Cat. No. CS-D1036
  • Purity ≥97%
  • MDL No. MFCD01074678
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BO₃
  • Molecular Weight None
  • Synonym(s) 3-Acetylbenzeneboronic Acid (contains varying amounts of Anhydride); 3-Acetylphenylboronic acid
  • SMILES O=C(C1=CC(B(O)O)=CC=C1)C

Description

3-Acetylphenylboronic acid can be used as a substrate:In the synthesis of symmetric biaryls via oxidative dimerization using a palladium catalyst and water as a solvent.In the synthesis of aryl fluorides through electrophilic fluorination reaction using acetyl hypofluorite.In the coupling reactions of organoboranes with olefins using molecular oxygen and palladium catalyst.

Application

3-Acetylphenylboronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient C–C bond formation under mild conditions. The ortho-acetyl group provides enhanced stability and facilitates downstream functionalization, while the boronic acid moiety exhibits excellent bench stability and compatibility with diverse reaction partners. This compound functions reliably in the synthesis of substituted biaryls, heterocycles, and advanced intermediates for pharmaceutical and agrochemical 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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   -0.431
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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