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CS-W001157 4
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(2-Formyl-5-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 1204580-94-8

  • Cat. No. CS-0128042
  • Molecule weight217.94
  • Purity≥98%
  • MDL No.MFCD11617253

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

(2-Formyl-5-(trifluoromethyl)phenyl)boronic acid|CS-0128042

Structure of 1204580-94-8

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General Information

  • CAS No. 1204580-94-8
  • Cat. No. CS-0128042
  • Purity ≥98%
  • MDL No. MFCD11617253
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BF₃O₃
  • Molecular Weight 217.94
  • Synonym(s) [2-formyl-5-(trifluoromethyl)phenyl]boronic acid
  • SMILES OB(C1=CC(C(F)(F)F)=CC=C1C=O)O

Description

This boronic acid features a trifluoromethyl group at the 5-position and a formyl substituent at the 2-position, creating a uniquely electron-deficient arylboronate. The orthogonal functional groups enable direct coupling in Suzuki-Miyaura reactions followed by selective transformations, streamlining access to complex heterocycles and bioactive scaffolds under standard conditions.

Application

(2-Formyl-5-(trifluoromethyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The ortho-formyl group provides a handle for downstream functionalization via condensation or oxidation, while the trifluoromethyl substituent enhances metabolic stability and lipophilicity—key attributes in medicinal chemistry. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses of complex heterocycles and pharmaceutical intermediates.

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   57.53
  • LogP   0.1977
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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