Boronic acid,B-[3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-


Chemical Name: Boronic acid,B-[3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-
CAS Number: 849062-24-4
Product Number: AG003J7L(AGN-PC-0UV8OE)
Synonyms:
MDL No:
Molecular Formula: C15H16BClO5
Molecular Weight: 322.5485

Identification/Properties


Properties
MP:
185-190 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
322.548g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
322.078g/mol
Monoisotopic Mass:
322.078g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
321
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



The compound (3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid is a versatile reagent commonly used in organic chemical synthesis. Its unique structure allows for a wide range of applications in the preparation of pharmaceuticals, agrochemicals, and advanced materials.One of the key uses of this compound is as a boronic acid building block in Suzuki-Miyaura cross-coupling reactions. This powerful synthetic method enables the formation of carbon-carbon bonds under mild conditions, making it a valuable tool in the construction of complex organic molecules. In particular, (3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid can serve as a coupling partner with various aryl halides or pseudohalides to generate biaryl structures with high efficiency.Furthermore, this compound can also participate in other types of transition metal-catalyzed cross-coupling reactions, providing access to diverse chemical structures with potential biological activities. Its boronic acid functionality allows for facile derivatization, making it amenable to further elaboration in multi-step synthetic sequences.Overall, (3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid is a valuable reagent that plays a crucial role in modern organic synthesis, facilitating the creation of new molecules with applications in drug discovery, materials science, and other chemical industries.