methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate


Chemical Name: methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
CAS Number: 959585-44-5
Product Number: AG00IJOE(AGN-PC-0DACWL)
Synonyms:
MDL No:
Molecular Formula: C12H19BN2O4
Molecular Weight: 266.1013

Identification/Properties


Computed Properties
Molecular Weight:
266.104g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
266.144g/mol
Monoisotopic Mass:
266.144g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
346
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate is a versatile compound that finds application in chemical synthesis, particularly in organoboron chemistry. This compound serves as a valuable building block for the synthesis of complex molecules due to its unique structural features and reactivity.One of the key applications of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate is in palladium-catalyzed cross-coupling reactions. By utilizing the boron functionality in the molecule, it can act as a boron source for Suzuki-Miyaura coupling reactions, enabling the formation of carbon-carbon bonds in a controlled and efficient manner. This facilitates the synthesis of a wide range of biaryl compounds and other organic molecules essential in pharmaceuticals, agrochemicals, and materials science.Additionally, the acetate moiety in Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate can serve as a protecting group in organic synthesis. Through selective deprotection strategies, this compound enables the precise manipulation of functional groups during multi-step synthesis processes, enhancing the overall synthetic efficiency and yield of target molecules.Overall, Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate is a valuable tool in modern organic synthesis, providing chemists with the means to access diverse chemical space and streamline the preparation of complex organic compounds with strategic control and precision.