(3-ethylsulfinylphenyl)boronic acid


Chemical Name: (3-ethylsulfinylphenyl)boronic acid
CAS Number: 1072952-07-8
Product Number: AG003BQ5(AGN-PC-078JMB)
Synonyms:
MDL No:
Molecular Formula: C8H11BO3S
Molecular Weight: 198.0471

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.043g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
198.052g/mol
Monoisotopic Mass:
198.052g/mol
Topological Polar Surface Area:
76.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(3-(Ethylsulfinyl)phenyl)boronic acid is a versatile organic compound that finds wide applications in chemical synthesis. It serves as a key building block in the creation of various organoboron compounds, which are essential intermediates in organic chemistry. The presence of the boronic acid group allows for Suzuki-Miyaura cross-coupling reactions, enabling the attachment of the (3-(Ethylsulfinyl)phenyl)boronic acid moiety to other organic molecules. This functional group also facilitates the formation of stable boron complexes, making it useful in ligand chemistry and catalysis. Additionally, the ethylsulfinyl group provides an extra level of versatility in tuning the reactivity and properties of the compound, allowing for tailored applications in the synthesis of pharmaceuticals, agrochemicals, and materials science.