Boronic acid,B-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-


Chemical Name: Boronic acid,B-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-
CAS Number: 870777-26-7
Product Number: AG003J7J(AGN-PC-0VAH62)
Synonyms:
MDL No:
Molecular Formula: C13H11BCl2O3
Molecular Weight: 296.9416

Identification/Properties


Properties
MP:
206-211°C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
296.938g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
296.018g/mol
Monoisotopic Mass:
296.018g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
281
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(3-Chloro-4-((2-chlorobenzyl)oxy)phenyl)boronic acid is a versatile and valuable compound in chemical synthesis. This boronic acid derivative is commonly used as a key building block in various organic reactions, particularly in the field of medicinal chemistry and material science. Its unique structure containing boronic acid and chloro-substituted benzene rings makes it a powerful tool for creating complex molecules with specific functionalities.In chemical synthesis, (3-Chloro-4-((2-chlorobenzyl)oxy)phenyl)boronic acid serves as a crucial reagent for Suzuki-Miyaura cross-coupling reactions. By reacting with aryl halides or vinyl halides in the presence of a palladium catalyst, this compound can facilitate the formation of carbon-carbon bonds, enabling the creation of biaryl compounds and other organic molecules with diverse substitution patterns. This reaction has broad applicability in the synthesis of pharmaceuticals, agrochemicals, and materials with advanced properties.Additionally, (3-Chloro-4-((2-chlorobenzyl)oxy)phenyl)boronic acid can participate in other synthetic transformations such as Buchwald-Hartwig amination, Chan-Lam coupling, and C-H activation reactions. Its unique structure provides opportunities for derivatization and modification, allowing chemists to tailor its properties for specific applications. Overall, this compound plays a crucial role in modern organic synthesis by enabling the efficient construction of complex molecules for various purposes.