1007170-59-3 | 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$139.00	$97.00
5g	98%	in stock	$387.00	$271.00
25g	98%	in stock	$1,505.00	$1,054.00

Description

• Catalog Number: AA03306
• Chemical Name: 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid
• CAS Number: 1007170-59-3
• Molecular Formula: C14H12BF3O3
• Molecular Weight: 296.0495
• MDL Number: MFCD20441815
• SMILES: OB(c1ccc(c(c1)OCc1ccccc1)C(F)(F)F)O

Computed Properties

• Complexity: 319
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4

Upstream Synthesis Route

3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid is a versatile and valuable reagent in chemical synthesis, particularly in the field of organic chemistry. This compound plays a crucial role as a key building block in the construction of complex molecules and pharmaceutical intermediates. Its unique structure, incorporating both a boronic acid and a trifluoromethyl group, provides several important applications in synthetic chemistry.One key application of 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid is in the process of Suzuki-Miyaura cross-coupling reactions. This reaction is widely used in modern organic synthesis to form carbon-carbon bonds between aryl or vinyl halides and boronic acids. By utilizing this boronic acid derivative, chemists can efficiently create a diverse array of biaryl compounds, which are prevalent in many natural products and pharmaceuticals.Additionally, the presence of the trifluoromethyl group in 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid imparts unique chemical properties that are highly sought after in medicinal chemistry. This functional group can enhance the lipophilicity, metabolic stability, and biological activity of drug molecules. Therefore, this compound can be utilized in the design and synthesis of pharmaceutical agents with improved drug-like properties.Moreover, 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid can serve as a valuable precursor in the preparation of various fluorinated organic compounds. The trifluoromethyl group can act as a versatile synthetic handle for introducing fluorine atoms into target molecules, which can significantly alter their physicochemical properties and biological activities.In conclusion, the strategic incorporation of 3-(Benzyloxy)-4-(trifluoromethyl)phenylboronic acid in chemical synthesis enables the efficient construction of diverse molecular architectures with applications spanning from materials science to drug discovery.