(2,6-difluoro-4-phenylmethoxyphenyl)boronic acid


Chemical Name: (2,6-difluoro-4-phenylmethoxyphenyl)boronic acid
CAS Number: 156635-89-1
Product Number: AG001OVA(AGN-PC-078TEB)
Synonyms:
MDL No:
Molecular Formula: C13H11BF2O3
Molecular Weight: 264.0324

Identification/Properties


Computed Properties
Molecular Weight:
264.035g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
264.077g/mol
Monoisotopic Mass:
264.077g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
263
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



(4-(Benzyloxy)-2,6-difluorophenyl)boronic acid is a versatile chemical compound that plays a crucial role in chemical synthesis. This compound is commonly used as a boronic acid building block in the construction of organic molecules. Its unique structure containing both boronic acid and difluorophenyl groups makes it a valuable reagent for various synthetic transformations.In chemical synthesis, (4-(Benzyloxy)-2,6-difluorophenyl)boronic acid serves as a key intermediate in the Suzuki-Miyaura cross-coupling reaction. This reaction involves the coupling of an arylboronic acid with an aryl halide in the presence of a palladium catalyst to form a new carbon-carbon bond. This process is widely used in the synthesis of pharmaceuticals, agrochemicals, and materials science.Additionally, (4-(Benzyloxy)-2,6-difluorophenyl)boronic acid can be utilized in the preparation of various heterocyclic compounds, which are important building blocks in medicinal chemistry and drug discovery. Its ability to undergo diverse chemical transformations, such as halogenation, arylation, and alkylation, makes it a valuable tool for organic chemists in designing and synthesizing complex molecules.Overall, the application of (4-(Benzyloxy)-2,6-difluorophenyl)boronic acid in chemical synthesis extends beyond basic organic reactions, offering a wide range of possibilities for creating novel and functional molecules with potential applications in various fields of science and industry.