(1-methyl-2-oxopyridin-4-yl)boronic acid


Chemical Name: (1-methyl-2-oxopyridin-4-yl)boronic acid
CAS Number: 1351413-50-7
Product Number: AG0032SV(AGN-PC-0HMJF6)
Synonyms:
MDL No:
Molecular Formula: C6H8BNO3
Molecular Weight: 152.9436

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
152.944g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
153.06g/mol
Monoisotopic Mass:
153.06g/mol
Topological Polar Surface Area:
60.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
234
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


Other Analytical Data


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Chemical Structure



The (1-Methyl-2-oxo-1,2-dihydropyridin-4-yl)boronic acid is a versatile compound widely utilized in chemical synthesis as a key building block. Due to its boronic acid functional group, this compound serves as a valuable substrate in Suzuki-Miyaura cross-coupling reactions, enabling the formation of C-C bonds under mild reaction conditions. Furthermore, the presence of the dihydropyridine moiety in the structure offers the potential for further derivatization through various chemical transformations, enhancing its utility in the synthesis of complex organic molecules. Additionally, the methyl and oxo groups present in the molecule can influence the reactivity and selectivity of the compound in different synthetic pathways, providing a strategic advantage in designing and accessing diverse chemical scaffolds for applications in drug discovery, materials science, and agrochemical development.