1-(benzenesulfonyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole


Chemical Name: 1-(benzenesulfonyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CAS Number: 1333344-24-3
Product Number: AG0014OS(AGN-PC-07XTH7)
Synonyms:
MDL No:
Molecular Formula: C20H22BNO4S
Molecular Weight: 383.2690

Identification/Properties


Computed Properties
Molecular Weight:
383.269g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
383.136g/mol
Monoisotopic Mass:
383.136g/mol
Topological Polar Surface Area:
65.9A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
637
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



In chemical synthesis, 1-(Phenylsulfonyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole serves as a versatile building block for the creation of complex molecular structures. This compound can be employed as a key intermediate in the construction of various pharmaceuticals, agrochemicals, and materials due to its unique chemical reactivity and structural properties. With its carefully designed molecular architecture, this compound facilitates the formation of carbon-carbon and carbon-heteroatom bonds, enabling chemists to efficiently access a diverse array of target molecules. By leveraging the synthetic utility of 1-(Phenylsulfonyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, researchers can expedite the development of novel compounds with potential applications in drug discovery, organic electronics, and materials science.