1204745-88-9 | 3,4-Bis(trifluoromethyl) phenylboronic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$105.00	$74.00
1g	96%	in stock	$297.00	$208.00
5g	96%	in stock	$851.00	$596.00
10g	96%	in stock	$1,302.00	$911.00

Description

• Catalog Number: AD60010
• Chemical Name: 3,4-Bis(trifluoromethyl) phenylboronic acid
• CAS Number: 1204745-88-9
• Molecular Formula: C8H5BF6O2
• Molecular Weight: 257.9255
• MDL Number: MFCD11617946
• SMILES: OB(c1ccc(c(c1)C(F)(F)F)C(F)(F)F)O

Computed Properties

• Complexity: 264
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1

Upstream Synthesis Route

The 3,4-Bis(trifluoromethyl)phenylboronic acid is a versatile compound widely used in chemical synthesis as a key building block for the formation of various organic molecules. Its unique chemical properties make it an essential tool for the development of pharmaceuticals, agrochemicals, and materials science.One of the primary applications of 3,4-Bis(trifluoromethyl)phenylboronic acid is in Suzuki-Miyaura cross-coupling reactions. This reaction involves the coupling of an organic halide with an organoboron compound to form a new carbon-carbon bond. The presence of the trifluoromethyl groups in 3,4-Bis(trifluoromethyl)phenylboronic acid enhances the reactivity and selectivity of the reaction, making it a valuable tool for the synthesis of complex organic molecules.Additionally, 3,4-Bis(trifluoromethyl)phenylboronic acid can be used as a ligand in transition metal-catalyzed reactions. Its boronic acid functional group can coordinate with various transition metal catalysts, facilitating the activation of substrates and promoting the formation of new chemical bonds. This enables chemists to access novel chemical structures and functional groups that are challenging to achieve using traditional synthetic methods.Furthermore, the presence of trifluoromethyl groups in 3,4-Bis(trifluoromethyl)phenylboronic acid imparts unique electronic properties to the molecule, making it an excellent candidate for the introduction of fluorinated motifs into organic molecules. This fluorinated motif often enhances the pharmacological and physicochemical properties of organic compounds, making 3,4-Bis(trifluoromethyl)phenylboronic acid a valuable tool in drug discovery and materials science.In conclusion, the 3,4-Bis(trifluoromethyl)phenylboronic acid plays a crucial role in modern chemical synthesis, enabling chemists to access diverse and complex organic molecules efficiently. Its unique reactivity and versatile applications make it a valuable reagent in the toolbox of synthetic chemists.