1-Methyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]-piperazine


Chemical Name: 1-Methyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]-piperazine
CAS Number: 914610-39-2
Product Number: AG00GUX4(AGN-PC-0WA4PA)
Synonyms:
MDL No:
Molecular Formula: C17H27BN2O4S
Molecular Weight: 366.2833

Identification/Properties


Computed Properties
Molecular Weight:
366.283g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
366.178g/mol
Monoisotopic Mass:
366.178g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
558
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



1-Methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl]piperazine, commonly referred to as $name$, serves as a valuable reagent in the realm of chemical synthesis. This compound plays a crucial role as a building block in the construction of complex molecules through various synthetic pathways. Its unique molecular structure, featuring a sulfonylphenyl group attached to a boron-containing ring and a piperazine moiety, enables $name$ to participate in a wide array of chemical reactions.In chemical synthesis, 1-Methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl]piperazine is utilized as a versatile coupling partner in the formation of C-C and C-N bonds. The boron atom within its structure acts as a directing group, facilitating selective cross-coupling reactions with various electrophiles such as aryl halides and pseudohalides. This capability makes $name$ a valuable tool in the assembly of biaryl structures, which are prevalent in pharmaceuticals, agrochemicals, and materials science.Moreover, the sulfonamide functionality present in 1-Methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl]piperazine imparts enhanced stability and solubility to the compound, allowing for efficient manipulation in synthetic processes. By leveraging the reactivity and selectivity of $name$, chemists can access diverse chemical space and expedite the synthesis of intricate molecular architectures.