(2-fluoro-4-methylsulfonylphenyl)boronic acid


Chemical Name: (2-fluoro-4-methylsulfonylphenyl)boronic acid
CAS Number: 957060-85-4
Product Number: AG003H96(AGN-PC-0786LW)
Synonyms:
MDL No: MFCD09027248
Molecular Formula: C7H8BFO4S
Molecular Weight: 218.0104

Identification/Properties


Properties
BP:
446℃
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.005g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
218.022g/mol
Monoisotopic Mass:
218.022g/mol
Topological Polar Surface Area:
83A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
287
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

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NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Fluoro-4-(methylsulfonyl)phenylboronic acid is a versatile compound commonly used in chemical synthesis as a valuable building block for creating complex organic molecules and pharmaceutical intermediates. Its unique structure allows for selective reactions with various substrates, making it an essential tool in the hands of organic chemists.This compound is particularly effective in Suzuki-Miyaura cross-coupling reactions, where it serves as a boronic acid derivative to facilitate the formation of carbon-carbon bonds. The presence of the fluoro and methylsulfonyl groups enhances the reactivity and selectivity of the compound, leading to efficient transformations and high yields of desired products.In addition to its use in cross-coupling reactions, 2-Fluoro-4-(methylsulfonyl)phenylboronic acid also finds application in the synthesis of biologically active compounds, agrochemicals, and materials science. Its compatibility with a wide range of functional groups and its ability to modulate the properties of target molecules make it a valuable tool for expanding the chemical space and exploring new avenues in drug discovery and materials design.