2,6-Difluoro-4-hydroxyphenylboronic acid


Chemical Name: 2,6-Difluoro-4-hydroxyphenylboronic acid
CAS Number: 957065-87-1
Product Number: AG00H815(AGN-PC-0WA5T7)
Synonyms:
MDL No:
Molecular Formula: C6H5BF2O3
Molecular Weight: 173.9099

Identification/Properties


Properties
BP:
353.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
173.91g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
174.03g/mol
Monoisotopic Mass:
174.03g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



(2,6-Difluoro-4-hydroxyphenyl)boronic acid is a versatile compound that finds a wide range of applications in chemical synthesis. This compound is often used as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and electronic materials.One of the primary applications of (2,6-Difluoro-4-hydroxyphenyl)boronic acid is in Suzuki-Miyaura cross-coupling reactions. In this reaction, the boronic acid functionality serves as a nucleophilic partner that reacts with an electrophilic partner in the presence of a palladium catalyst to form a new carbon-carbon bond. This reaction is widely used in medicinal chemistry and materials science to construct complex molecular structures efficiently.Furthermore, (2,6-Difluoro-4-hydroxyphenyl)boronic acid can be utilized in the synthesis of fluorinated aromatic compounds. The presence of fluorine atoms in the molecule imparts unique properties to the resulting compounds, making them valuable in developing new materials with specific characteristics such as increased chemical stability and altered electronic properties.Additionally, (2,6-Difluoro-4-hydroxyphenyl)boronic acid can participate in metal-catalyzed transformations to introduce the difluoromethyl group into organic molecules. This capability enables the synthesis of fluorine-containing organic compounds with potential applications in pharmaceuticals, agrochemicals, and materials science.In summary, (2,6-Difluoro-4-hydroxyphenyl)boronic acid serves as a valuable tool in chemical synthesis, enabling the construction of diverse molecular structures and facilitating the development of novel compounds with tailored properties for various industrial applications.