Boronic acid, [3-(phenylmethoxy)phenyl]-


Chemical Name: Boronic acid, [3-(phenylmethoxy)phenyl]-
CAS Number: 156682-54-1
Product Number: AG001OWL(AGN-PC-0KK6HO)
Synonyms:
MDL No: MFCD02093063
Molecular Formula: C13H13BO3
Molecular Weight: 228.0515

Identification/Properties


Properties
MP:
125-130 °C(lit.)
BP:
428.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
228.054g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
228.096g/mol
Monoisotopic Mass:
228.096g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
217
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

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



(3-(Benzyloxy)phenyl)boronic acid is a versatile compound widely used in chemical synthesis due to its ability to participate in various reactions as a boronic acid derivative. This compound is commonly employed as a key building block in the preparation of functionalized biaryls, which are important structural motifs found in many biologically active molecules and pharmaceuticals. In organic synthesis, the (3-(Benzyloxy)phenyl)boronic acid can undergo Suzuki-Miyaura cross-coupling reactions with aryl halides or pseudohalides, using palladium catalysis. This reaction enables the formation of carbon-carbon bonds between the boronic acid group and the electrophilic partner, leading to the synthesis of complex biaryl structures. Additionally, the boronic acid functionality in (3-(Benzyloxy)phenyl)boronic acid allows for further manipulation through various transformations, such as oxidation, reduction, and derivatization reactions, providing access to a diverse range of chemical derivatives with different properties and functionalities. Overall, the use of (3-(Benzyloxy)phenyl)boronic acid in chemical synthesis offers synthetic chemists a powerful tool for constructing intricate molecular architectures and advancing the development of novel organic compounds for a variety of applications in pharmaceuticals, materials science, and agrochemicals.