1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid


Chemical Name: 1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
CAS Number: 1218790-73-8
Product Number: AG0016AK(AGN-PC-0WA3YG)
Synonyms:
MDL No:
Molecular Formula: C6H8BF3N2O3
Molecular Weight: 223.9455

Identification/Properties


Computed Properties
Molecular Weight:
223.946g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
224.058g/mol
Monoisotopic Mass:
224.058g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
216
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



b-[1-(Methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid is a versatile compound commonly employed in chemical synthesis for its unique reactivity and functional properties. This compound serves as a valuable building block in the synthesis of various pharmaceuticals, agrochemicals, and materials due to its boronic acid functionality. In organic chemistry, it is frequently used in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds, allowing for the creation of complex molecular structures. Additionally, its trifluoromethyl group enhances the compound's lipophilicity and can alter the physicochemical properties of the target molecules. The methoxymethyl group also provides stability and protection during synthetic transformations. Overall, b-[1-(Methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid is an essential tool in the toolkit of synthetic chemists for the efficient construction of diverse chemical entities.