Butanoic acid, 4-(methylsulfonyl)-


Chemical Name: Butanoic acid, 4-(methylsulfonyl)-
CAS Number: 148928-08-9
Product Number: AG00VUFM(AGN-PC-01MNTR)
Synonyms:
MDL No:
Molecular Formula: C5H10O4S
Molecular Weight: 166.1955

Identification/Properties


Computed Properties
Molecular Weight:
166.191g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
166.03g/mol
Monoisotopic Mass:
166.03g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
198
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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Chemical Structure



4-methanesulfonylbutanoic acid, also known as MMSBA, is a versatile compound commonly used in chemical synthesis for its unique properties and applications. One key application of 4-methanesulfonylbutanoic acid in chemical synthesis is as a precursor in the synthesis of various pharmaceutical and agrochemical compounds. This compound serves as a valuable building block in the production of important substances such as amino acids, peptides, and heterocyclic compounds.Additionally, 4-methanesulfonylbutanoic acid is widely employed as a reagent in organic reactions, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. Its sulfonyl group provides stability and functionality, enabling selective transformations in complex molecule synthesis. Moreover, MMSBA is utilized in the preparation of sulfones, which are essential structural motifs in drug discovery and materials science.Furthermore, 4-methanesulfonylbutanoic acid plays a crucial role in the development of new synthetic methodologies and strategies for designing novel chemical entities. Its compatibility with a variety of reaction conditions and functional groups makes it a valuable tool for organic chemists seeking efficient routes to desired products. Researchers and industries often rely on the versatility of MMSBA to access diverse chemical structures with high efficiency and precision.