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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-4-fluorophenylboronic acid

  • CAS No. 342636-66-2

  • Cat. No. CS-0189170
  • Purity≥97%
  • MDL No.None

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

3,5-Dimethyl-4-fluorophenylboronic acid|CS-0189170

Structure of 342636-66-2

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General Information

  • CAS No. 342636-66-2
  • Cat. No. CS-0189170
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀BFO₂
  • Molecular Weight 167.97
  • Synonym(s) (4-Fluoro-3,5-dimethylphenyl)boronic acid
  • SMILES OB(C1=CC(C)=C(F)C(C)=C1)O

Description

3,5-Dimethyl-4-fluorophenylboronic acid features a sterically hindered aryl boronate with enhanced stability and predictable coupling efficiency. The para-fluoro substituent improves reactivity in Suzuki-Miyaura cross-coupling reactions, while the ortho-dimethyl groups provide steric protection against protodeboronation. This bench-stable reagent facilitates reliable carbon-carbon bond formation under standard conditions.

Application

3,5-Dimethyl-4-fluorophenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient carbon-carbon bond formation under mild conditions. Its fluorinated aryl boronic acid structure offers enhanced stability and compatibility with diverse functional groups, facilitating the synthesis of complex biaryl scaffolds relevant to pharmaceutical and agrochemical research. The ortho-methyl substituents provide steric control and improve bench stability, while the para-fluoro group enables further derivatization through nucleophilic aromatic substitution.

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 : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P362-P403-P405-P501

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   0.12234
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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