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CS-W001157 4
Total: USD 88.00

(4-(Methoxycarbonyl)-3-methylphenyl)boronic acid

  • CAS No. 603122-81-2

  • Cat. No. CS-0052984
  • Purity≥98%
  • MDL No.None

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

(4-(Methoxycarbonyl)-3-methylphenyl)boronic acid|CS-0052984

Structure of 603122-81-2

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General Information

  • CAS No. 603122-81-2
  • Cat. No. CS-0052984
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁BO₄
  • Molecular Weight 193.99
  • Synonym(s) None
  • SMILES COC(=O)C1=C(C)C=C(C=C1)B(O)O

Description

This boronic acid features a methoxycarbonyl-substituted aryl ring with a methyl group at the ortho position, enhancing electronic and steric control. It integrates readily into Suzuki-Miyaura cross-coupling reactions under standard conditions, delivering functionalized biaryls with high efficiency. The ester moiety enables further derivatization, while the bench-stable boronate facilitates handling and storage.

Application

(4-(Methoxycarbonyl)-3-methylphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The methyl and methoxycarbonyl groups provide orthogonal functionality for further derivatization, while the boronic acid moiety offers excellent bench stability and compatibility with diverse reaction conditions. Its predictable reactivity and straightforward purification make it ideal for medicinal chemistry and process development workflows.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   -0.53858
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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