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CS-W001157 4
Total: USD 88.00

3-Methyl-4-trifluoromethoxybenzeneboronic acid

  • CAS No. 871362-79-7

  • Cat. No. CS-0084606
  • Purity≥98%
  • MDL No.None

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

3-Methyl-4-trifluoromethoxybenzeneboronic acid|CS-0084606

Structure of 871362-79-7

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General Information

  • CAS No. 871362-79-7
  • Cat. No. CS-0084606
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BF₃O₃
  • Molecular Weight 219.95
  • Synonym(s) (3-Methyl-4-(trifluoromethoxy)phenyl)boronic acid
  • SMILES OB(C1=CC=C(OC(F)(F)F)C(C)=C1)O

Description

3-Methyl-4-trifluoromethoxybenzeneboronic acid features a trifluoromethoxy group that enhances electron-withdrawing character and metabolic stability. The boronic acid moiety enables efficient Suzuki-Miyaura coupling under standard conditions. This compound integrates readily into complex molecular architectures, particularly in medicinal chemistry and materials science applications.

Application

3-Methyl-4-trifluoromethoxybenzeneboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. Its trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, making it valuable for constructing bioactive heterocycles and pharmaceutical scaffolds. The boronic acid functionality offers good bench stability, ease of handling, and compatibility with diverse functional groups, facilitating streamlined synthesis in 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-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   0.57342
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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