4-(N-Acetylsulphamoyl)benzeneboronic acid


Chemical Name: 4-(N-Acetylsulphamoyl)benzeneboronic acid
CAS Number: 913835-52-6
Product Number: AG00GTDD(AGN-PC-0713K7)
Synonyms:
MDL No: MFCD08436010
Molecular Formula: C8H10BNO5S
Molecular Weight: 243.0447

Identification/Properties


Computed Properties
Molecular Weight:
243.04g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
243.037g/mol
Monoisotopic Mass:
243.037g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
342
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



(4-(N-Acetylsulfamoyl)phenyl)boronic acid, also known as $name$, is a versatile and essential compound in chemical synthesis. This compound plays a crucial role as a key building block in various organic reactions, particularly in the field of medicinal chemistry and pharmaceutical development. One of the primary applications of (4-(N-Acetylsulfamoyl)phenyl)boronic acid is its capability to facilitate Suzuki-Miyaura cross-coupling reactions. This process involves the coupling of an organoboron compound, such as (4-(N-Acetylsulfamoyl)phenyl)boronic acid, with an organic electrophile in the presence of a palladium catalyst. This reaction is widely utilized in the synthesis of complex organic molecules, including drug candidates and bioactive compounds.Additionally, (4-(N-Acetylsulfamoyl)phenyl)boronic acid can serve as a valuable tool in the development of boron-containing compounds with diverse chemical properties. Its boronic acid functionality allows for easy modification and manipulation, enabling chemists to create novel structures with desired properties for various applications.Overall, the unique properties and reactivity of (4-(N-Acetylsulfamoyl)phenyl)boronic acid make it an indispensable component in the toolbox of synthetic chemists, offering exciting opportunities for the creation of new molecules with potential therapeutic benefits.