Boronicacid, B-[4-(2-bromoethoxy)phenyl]-


Chemical Name: Boronicacid, B-[4-(2-bromoethoxy)phenyl]-
CAS Number: 913836-06-3
Product Number: AG006BHM(AGN-PC-07138X)
Synonyms:
MDL No:
Molecular Formula: C8H10BBrO3
Molecular Weight: 244.8782

Identification/Properties


Properties
MP:
149-156℃
BP:
387.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.879g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
243.991g/mol
Monoisotopic Mass:
243.991g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
137
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(4-(2-Bromoethoxy)phenyl)boronic acid is a versatile compound commonly used in organic chemical synthesis. It serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials.This compound is frequently employed in cross-coupling reactions, particularly in Suzuki-Miyaura coupling, where it reacts with aryl halides or pseudohalides in the presence of a palladium catalyst to form biaryl compounds. This reaction is vital in the synthesis of complex organic molecules, allowing for the formation of carbon-carbon bonds efficiently.Additionally, (4-(2-Bromoethoxy)phenyl)boronic acid can participate in other transformations such as Heck reactions, borylation reactions, and Buchwald-Hartwig aminations. These diverse reactivity pathways highlight the utility of this compound in creating a wide range of chemical structures.Overall, (4-(2-Bromoethoxy)phenyl)boronic acid plays a crucial role in modern organic synthesis, enabling chemists to construct intricate molecules with precision and efficiency.