[1-(oxan-2-yl)pyrazol-3-yl]boronic acid


Chemical Name: [1-(oxan-2-yl)pyrazol-3-yl]boronic acid
CAS Number: 916890-60-3
Product Number: AG00H0YJ(AGN-PC-0ALJBD)
Synonyms:
MDL No:
Molecular Formula: C8H13BN2O3
Molecular Weight: 196.0114

Identification/Properties


Computed Properties
Molecular Weight:
196.013g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
196.102g/mol
Monoisotopic Mass:
196.102g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)boronic acid is a versatile chemical reagent widely used in chemical synthesis. Its unique structure, combining a boronic acid moiety with a pyran and pyrazole ring, imparts specific properties that make it valuable in various synthetic processes.In organic chemistry, this compound is commonly employed as a boronic acid building block for Suzuki-Miyaura cross-coupling reactions. This reaction is a powerful tool in organic synthesis for forming carbon-carbon bonds, and the use of (1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)boronic acid as one of the reactants enables the selective assembly of complex molecules with precision.Furthermore, the boronic acid functionality in this compound allows for the formation of stable boronate esters, which can undergo further transformations to introduce desired functional groups into the target molecules. This flexibility makes (1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)boronic acid a valuable tool in the construction of pharmaceuticals, agrochemicals, and materials with tailored properties.Overall, the application of (1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)boronic acid in chemical synthesis showcases its importance as a key intermediate in the efficient and controlled synthesis of complex organic molecules.