3-Pyridinesulfonic acid, 4-methyl-


Chemical Name: 3-Pyridinesulfonic acid, 4-methyl-
CAS Number: 4808-71-3
Product Number: AG006Y0D(AGN-PC-0JO70W)
Synonyms:
MDL No:
Molecular Formula: C6H7NO3S
Molecular Weight: 173.1897

Identification/Properties


Computed Properties
Molecular Weight:
173.186g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
173.015g/mol
Monoisotopic Mass:
173.015g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
219
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


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Chemical Structure



4-Methylpyridine-3-sulfonic acid is a valuable chemical reagent commonly used in chemical synthesis for its versatile applications. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique chemical structure and properties make it an essential precursor in the synthesis of complex organic compounds.One of the primary applications of 4-Methylpyridine-3-sulfonic acid is as a catalyst or reagent in organic reactions. It is commonly employed in the synthesis of heterocyclic compounds, such as pyridine derivatives, which are important structural motifs found in many bioactive molecules. The sulfonic acid group on the molecule provides it with enhanced solubility and reactivity, making it particularly useful in reactions requiring strong acid catalysis.Additionally, 4-Methylpyridine-3-sulfonic acid can be utilized as a protecting group in organic synthesis. By selectively masking reactive functional groups on other molecules, this compound enables chemists to control the course of multi-step reactions and prevent unwanted side reactions. Its ability to form stable complexes with certain functional groups allows for efficient and selective transformations in complex molecule synthesis.Furthermore, 4-Methylpyridine-3-sulfonic acid is often used as a key intermediate in the synthesis of specialized reagents and ligands for transition metal-catalyzed reactions. Its sulfonic acid functionality can be modified to introduce additional chemical handles or chelating groups, enhancing its utility in diverse catalytic processes. By incorporating this compound into ligand design, chemists can tailor the reactivity and selectivity of metal catalysts for specific transformations.Overall, the versatile applications of 4-Methylpyridine-3-sulfonic acid in chemical synthesis highlight its significance as a valuable tool for organic chemists seeking to access complex molecular architectures with precision and efficiency.