1092533-91-9 | 3-Bromo-4-fluorophenylboronic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$13.00	$10.00
250mg	98%	in stock	$28.00	$20.00
1g	98%	in stock	$56.00	$40.00
25g	98%	in stock	$1,021.00	$715.00

Description

• Catalog Number: AE18478
• Chemical Name: 3-Bromo-4-fluorophenylboronic acid
• CAS Number: 1092533-91-9
• Molecular Formula: C6H5BBrFO2
• Molecular Weight: 218.8161
• MDL Number: MFCD13195642
• SMILES: OB(c1ccc(c(c1)Br)F)O

Computed Properties

• Complexity: 136
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1

Upstream Synthesis Route

(3-Bromo-4-fluorophenyl)boronic acid is a versatile compound widely used in chemical synthesis, particularly in the field of organic chemistry. Its unique structure makes it a valuable building block for the preparation of various pharmaceuticals, agrochemicals, and materials.One key application of (3-Bromo-4-fluorophenyl)boronic acid is its use in Suzuki-Miyaura cross-coupling reactions. This palladium-catalyzed reaction involves the coupling of an aryl or vinyl boronic acid with an aryl or vinyl halide to form a new carbon-carbon bond. (3-Bromo-4-fluorophenyl)boronic acid serves as an essential boronic acid reagent in this reaction, enabling the synthesis of biaryl compounds with high efficiency and selectivity. Additionally, (3-Bromo-4-fluorophenyl)boronic acid can be employed in the construction of various functionalized aromatic compounds through palladium-catalyzed C-H activation reactions. By activating inert C-H bonds in aromatic substrates, this compound facilitates the selective functionalization of specific carbon positions, leading to the preparation of complex molecules with precise structural control.Furthermore, (3-Bromo-4-fluorophenyl)boronic acid can be utilized in the synthesis of heterocyclic compounds, such as benzimidazoles and benzothiazoles, through versatile cross-coupling methodologies. These heterocycles are important structural motifs found in many bioactive compounds and pharmaceuticals, highlighting the significance of (3-Bromo-4-fluorophenyl)boronic acid in drug discovery and development efforts.In conclusion, (3-Bromo-4-fluorophenyl)boronic acid is a valuable reagent in chemical synthesis, enabling the efficient and selective construction of diverse organic molecules with potential applications in medicinal chemistry, materials science, and other interdisciplinary fields.