2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetic acid


Chemical Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetic acid
CAS Number: 1083326-41-3
Product Number: AG0083OQ(AGN-PC-0CE2R8)
Synonyms:
MDL No:
Molecular Formula: C11H17BN2O4
Molecular Weight: 252.0747

Identification/Properties


Computed Properties
Molecular Weight:
252.077g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
252.128g/mol
Monoisotopic Mass:
252.128g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
332
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

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NMR Spectrum


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Chemical Structure



4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic acid is widely utilized in chemical synthesis as a versatile building block. Its boronic acid functionality enables it to participate in diverse reactions, such as Suzuki-Miyaura cross-coupling reactions, enabling the formation of C-C bonds. This compound serves as a key component in the construction of complex organic molecules, pharmaceuticals, agrochemicals, and materials. Its unique structure imparts specific reactivity, allowing for strategic incorporation into target molecules during synthetic routes. By leveraging the reactivity of this compound, chemists can efficiently access a wide array of structurally diverse compounds with tailored properties and functionalities.