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CS-W001157 4
Total: USD 88.00

(4-Methoxy-3-(methoxycarbonyl)phenyl)boronic acid

  • CAS No. 1071958-96-7

  • Cat. No. CS-0176116
  • Purity≥97%
  • MDL No.None

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

(4-Methoxy-3-(methoxycarbonyl)phenyl)boronic acid|CS-0176116

Structure of 1071958-96-7

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General Information

  • CAS No. 1071958-96-7
  • Cat. No. CS-0176116
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁BO₅
  • Molecular Weight 209.99
  • Synonym(s) Benzoic acid, 5-borono-2-methoxy-, methyl ester
  • SMILES COC1=C(C(OC)=O)C=C(B(O)O)C=C1

Description

This boronate moiety features a methoxy-substituted aryl core paired with an ester-functionalized pendant, enabling efficient coupling in Suzuki-Miyaura reactions. The electron-donating methoxy group enhances reactivity while maintaining bench stability under standard conditions.

Application

(4-Methoxy-3-(methoxycarbonyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. Its stability, ease of handling, and compatibility with diverse functional groups make it ideal for constructing substituted aromatic scaffolds in medicinal chemistry and materials science. The methoxy and ester substituents provide orthogonal reactivity options for downstream modifications.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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Computational Chemistry Data

  • TPSA   75.99
  • LogP   -0.8384
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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