Benzoicacid, 5-borono-2-methoxy- (9CI)


Chemical Name: Benzoicacid, 5-borono-2-methoxy- (9CI)
CAS Number: 913836-12-1
Product Number: AG006N8N(AGN-PC-07132X)
Synonyms:
MDL No:
Molecular Formula: C8H9BO5
Molecular Weight: 195.9651

Identification/Properties


Properties
MP:
176-177 °C
BP:
442.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
195.965g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
196.054g/mol
Monoisotopic Mass:
196.054g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
208
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



5-Borono-2-methoxybenzoic acid, often referred to as BMBA, is a versatile chemical compound widely used in organic and medicinal chemistry synthesis. Its boronic acid functionality endows it with unique reactivity, making it a valuable building block for various transformations.One notable application of 5-Borono-2-methoxybenzoic acid lies in Suzuki coupling reactions. In this process, BMBA can serve as a key component in the formation of carbon-carbon bonds, a fundamental step in constructing complex organic molecules. By coupling with various aryl halides or pseudohalides under palladium catalysis, BMBA facilitates the creation of biaryl compounds, which are prevalent in pharmaceuticals, agrochemicals, and materials science.Additionally, 5-Borono-2-methoxybenzoic acid can participate in diverse transformations such as cross-coupling reactions, hydroxylation, and arylation. Its substituted methoxybenzoic framework provides a suitable platform for further functionalization, enabling the synthesis of tailored compounds with specific properties and applications.Overall, the versatility and reactivity of 5-Borono-2-methoxybenzoic acid make it a valuable tool in chemical synthesis, particularly in the efficient construction of structurally complex molecules with important implications across various industries and research fields.