Boronic acid, (3-ethoxy-4-methoxyphenyl)-


Chemical Name: Boronic acid, (3-ethoxy-4-methoxyphenyl)-
CAS Number: 915201-13-7
Product Number: AG00H1UV(AGN-PC-07XTTW)
Synonyms:
MDL No:
Molecular Formula: C9H13BO4
Molecular Weight: 196.0081

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.009g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
196.091g/mol
Monoisotopic Mass:
196.091g/mol
Topological Polar Surface Area:
58.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
165
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:
H302
Precautionary Statements:
P261-P280-P304+P340-P305+P351+P338-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The (3-Ethoxy-4-methoxyphenyl)boronic acid is a valuable reagent commonly used in organic chemistry for the synthesis of various complex molecules. This boronic acid derivative serves as a crucial building block in Suzuki-Miyaura cross-coupling reactions, a widely employed method in the creation of carbon-carbon bonds. By reacting with aryl halides or pseudohalides in the presence of a palladium catalyst, this compound facilitates the formation of biaryl compounds, which are prevalent in pharmaceuticals, agrochemicals, and materials science. Its unique structure and properties make it a versatile tool in the hands of synthetic chemists, enabling precise control over the functional groups and stereochemistry of the final products. Additionally, the (3-Ethoxy-4-methoxyphenyl)boronic acid plays a vital role in the development of new drugs, advanced materials, and fine chemicals, highlighting its significance in modern chemical synthesis.