Boronic acid, [4-(1-methylethoxy)phenyl]-


Chemical Name: Boronic acid, [4-(1-methylethoxy)phenyl]-
CAS Number: 153624-46-5
Product Number: AG00AP4B(AGN-PC-07HAGL)
Synonyms:
MDL No:
Molecular Formula: C9H13BO3
Molecular Weight: 180.0087

Identification/Properties


Computed Properties
Molecular Weight:
180.01g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
180.096g/mol
Monoisotopic Mass:
180.096g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
142
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Isopropoxyphenylboronic acid is a versatile chemical compound commonly used in organic synthesis as a key building block in the formation of various pharmaceuticals, agrochemicals, and materials. This compound plays a crucial role in Suzuki-Miyaura cross-coupling reactions, enabling the efficient and selective formation of carbon-carbon bonds.In chemical synthesis, 4-Isopropoxyphenylboronic acid serves as a vital arylboronic acid reagent due to its stability and reactivity under mild reaction conditions. By undergoing transmetalation followed by reductive elimination, this compound can participate in cross-coupling reactions with a wide range of organic electrophiles, such as aryl halides and triflates. The resulting products display significant structural diversity and are valuable intermediates for the preparation of complex molecules.Furthermore, the use of 4-Isopropoxyphenylboronic acid in organic synthesis allows chemists to access biaryl compounds, which are prevalent in pharmaceuticals and materials with diverse applications. Its compatibility with a variety of functional groups and its ability to facilitate the formation of challenging bond connections make it a highly desirable reagent for the construction of complex molecular architectures in a controlled manner.