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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)-

4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid

ON=C(c1ccc(cc1)B(O)O)N Request for Quotation
Chemical Name: 4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid
CAS Number: 913835-61-7
Product Number: AG00GTDF(AGN-PC-07137U)
Synonyms:
MDL No:
Molecular Formula: C7H9BN2O3
Molecular Weight: 179.96896

Identification/Properties

Computed Properties
Molecular Weight:
179.97g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
180.071g/mol
Monoisotopic Mass:
180.071g/mol
Topological Polar Surface Area:
99.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (4-(N'-Hydroxycarbamimidoyl)phenyl)boronic acid is a versatile compound commonly used in chemical synthesis due to its ability to act as a valuable building block in the creation of various organic molecules. This compound possesses unique properties that make it highly suitable for a wide range of synthetic applications.In organic synthesis, (4-(N'-Hydroxycarbamimidoyl)phenyl)boronic acid can serve as a key component in the formation of complex molecules through Suzuki-Miyaura cross-coupling reactions. This reaction involves the coupling of an aryl or vinyl boronic acid derivative with an organic halide or pseudohalide, under the catalytic influence of a palladium complex. The resulting product is a biaryl or polyaryl compound, which is frequently found in pharmaceuticals, agrochemicals, and materials science.Furthermore, (4-(N'-Hydroxycarbamimidoyl)phenyl)boronic acid can also participate in other important transformations such as Sonogashira couplings, Chan-Lam couplings, and direct arylation reactions. These reactions enable the efficient construction of carbon-carbon and carbon-heteroatom bonds, allowing for the synthesis of diverse molecular scaffolds with valuable chemical functionalities.Overall, the application of (4-(N'-Hydroxycarbamimidoyl)phenyl)boronic acid in chemical synthesis plays a crucial role in the efficient and controlled construction of complex organic molecules with significant potential in drug discovery, materials science, and other industrial applications.