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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

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

COc1cc(ccc1C#N)B(O)O Request for Quotation
Chemical Name: Boronic acid, (4-cyano-3-methoxyphenyl)-
CAS Number: 677777-45-6
Product Number: AG006J8A(AGN-PC-07AERR)
Synonyms:
MDL No:
Molecular Formula: C8H8BNO3
Molecular Weight: 176.9650

Identification/Properties

Properties
BP:
417.6±55.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.966g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
177.06g/mol
Monoisotopic Mass:
177.06g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


(4-Cyano-3-methoxyphenyl)boronic acid is a versatile chemical reagent widely used in chemical synthesis. It serves as a key building block in the formation of various biaryl compounds through Suzuki-Miyaura cross-coupling reactions. This reaction involves the coupling of an aryl halide with an arylboronic acid in the presence of a palladium catalyst to form a new carbon-carbon bond.Additionally, (4-Cyano-3-methoxyphenyl)boronic acid is employed in the synthesis of pharmaceutical intermediates, agrochemicals, and materials science applications due to its ability to introduce the cyano group and methoxy group in a controlled manner. The cyano group can participate in further functionalization reactions, while the methoxy group can influence the compound's properties such as solubility and stability.Furthermore, this boronic acid derivative has found utility in the preparation of liquid crystals, optoelectronic materials, and advanced organic materials due to its compatibility with various synthetic routes and its ability to fine-tune the properties of the final products. Its role in chemical synthesis extends to the creation of diverse molecular structures with desirable properties for a range of applications in the fields of chemistry and materials science.