Boronic acid, [4-[(methylamino)sulfonyl]phenyl]-


Chemical Name: Boronic acid, [4-[(methylamino)sulfonyl]phenyl]-
CAS Number: 226396-31-2
Product Number: AG00BDT7(AGN-PC-0712TX)
Synonyms:
MDL No: MFCD06659864
Molecular Formula: C7H10BNO4S
Molecular Weight: 215.0346

Identification/Properties


Computed Properties
Molecular Weight:
215.03g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
215.042g/mol
Monoisotopic Mass:
215.042g/mol
Topological Polar Surface Area:
95A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
266
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
Precautionary Statements:
P301+P312+P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The (4-(N-Methylsulfamoyl)phenyl)boronic acid is a versatile reagent commonly employed in organic synthesis due to its unique properties and reactivity. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. In chemical synthesis, (4-(N-Methylsulfamoyl)phenyl)boronic acid is often utilized as a key intermediate for Suzuki-Miyaura cross-coupling reactions, enabling the formation of complex carbon-carbon bonds. Additionally, its boronic acid functionality enables it to participate in selective oxidation and reduction reactions, leading to the creation of structurally intricate molecules with high efficiency. Through its strategic incorporation into synthetic routes, (4-(N-Methylsulfamoyl)phenyl)boronic acid plays a crucial role in the development of novel compounds with diverse applications in the fields of medicinal chemistry and materials science.