[1-(2-methylpropyl)pyrazol-4-yl]boronic acid


Chemical Name: [1-(2-methylpropyl)pyrazol-4-yl]boronic acid
CAS Number: 929094-25-7
Product Number: AG00GUYD(AGN-PC-07B7CC)
Synonyms:
MDL No:
Molecular Formula: C7H13BN2O2
Molecular Weight: 168.0013

Identification/Properties


Computed Properties
Molecular Weight:
168.003g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.107g/mol
Monoisotopic Mass:
168.107g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
143
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The (1-Isobutyl-1H-pyrazol-4-yl)boronic acid is a versatile compound widely used in chemical synthesis. It serves as a key building block in the construction of various organic compounds due to its boronic acid functionality. In the field of organic chemistry, this compound is commonly employed in Suzuki-Miyaura cross-coupling reactions, where it acts as a boron source to facilitate the formation of carbon-carbon bonds.Additionally, (1-Isobutyl-1H-pyrazol-4-yl)boronic acid is utilized in the synthesis of pharmaceuticals, agrochemicals, and materials science. Its unique structure and reactivity allow chemists to introduce the pyrazole moiety into target molecules, enabling the creation of new compounds with desired properties. Overall, this compound is an essential tool for chemists engaged in the development of novel organic molecules and materials.