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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)-

[2-(cyanomethoxy)phenyl]boronic acid

N#CCOc1ccccc1B(O)O Request for Quotation
Chemical Name: [2-(cyanomethoxy)phenyl]boronic acid
CAS Number: 947533-29-1
Product Number: AG0068HJ(AGN-PC-07B7CG)
Synonyms:
MDL No:
Molecular Formula: C8H8BNO3
Molecular Weight: 176.9650

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
176.966g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
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:
201
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


The versatile compound (2-(Cyanomethoxy)phenyl)boronic acid has found widespread application in chemical synthesis as a valuable building block for organic reactions. Its unique structure, characterized by the presence of a boronic acid moiety attached to a cyanomethoxyphenyl group, makes it a key component in various synthetic processes.One prominent application of (2-(Cyanomethoxy)phenyl)boronic acid is in Suzuki-Miyaura cross-coupling reactions, where it serves as a boronic acid precursor for the formation of carbon-carbon bonds. This reaction is widely utilized in the synthesis of biaryl compounds, which are essential structural motifs in many pharmaceuticals, agrochemicals, and materials science.Additionally, (2-(Cyanomethoxy)phenyl)boronic acid participates in palladium-catalyzed coupling reactions to introduce the cyanomethoxyphenyl group into organic molecules. This enables the incorporation of the cyanomethoxyphenyl functionality into diverse chemical scaffolds, expanding the range of potential applications in medicinal chemistry, materials science, and other fields.Furthermore, the presence of the cyano group in (2-(Cyanomethoxy)phenyl)boronic acid offers the opportunity for further derivatization, allowing for the synthesis of a variety of functionalized compounds with tailored properties. This versatility makes (2-(Cyanomethoxy)phenyl)boronic acid a valuable tool for chemists engaged in the development of new molecules and materials through synthetic organic chemistry strategies.