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CS-W001157 4
Total: USD 88.00

(2-Fluoro-4-isopropoxyphenyl)boronic acid

  • CAS No. 586389-90-4

  • Cat. No. CS-0042529
  • Purity≥98%
  • MDL No.None

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

(2-Fluoro-4-isopropoxyphenyl)boronic acid|CS-0042529

Structure of 586389-90-4

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General Information

  • CAS No. 586389-90-4
  • Cat. No. CS-0042529
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂BFO₃
  • Molecular Weight 198.00
  • Synonym(s) (2-Fluoro-4-isopropoxyphenyl)
  • SMILES CC(OC1=CC=C(B(O)O)C(F)=C1)C

Description

This boronate moiety features a strategically positioned fluorine atom and isopropoxy group, enhancing both electronic tuning and solubility. The ortho-fluoro substitution stabilizes the boronic acid under standard conditions while enabling efficient cross-coupling reactions in Suzuki-Miyaura transformations.

Application

(2-Fluoro-4-isopropoxyphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. Its fluorinated aryl core enhances metabolic stability and modulates electronic properties, while the isopropoxy group improves solubility and bench stability. The boronic acid functionality exhibits excellent functional group tolerance and facilitates straightforward purification, making it ideal for constructing biologically relevant heterocycles and pharmaceutical scaffolds in medicinal chemistry workflows.

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.69
  • LogP   0.2927
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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