5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine


Chemical Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine
CAS Number: 1093819-50-1
Product Number: AG0082JC(AGN-PC-08YJ1O)
Synonyms:
MDL No:
Molecular Formula: C12H16BN3O2
Molecular Weight: 245.0853

Identification/Properties


Computed Properties
Molecular Weight:
245.089g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
245.134g/mol
Monoisotopic Mass:
245.134g/mol
Topological Polar Surface Area:
60A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
321
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine is a versatile reagent commonly used in chemical synthesis for the functionalization of aromatic compounds. Its unique structure allows for selective C-H activation and subsequent cross-coupling reactions with various organic substrates. This compound exhibits excellent regioselectivity and functional group tolerance, making it a valuable tool for the construction of complex molecules in organic chemistry. Its application in transition metal-catalyzed reactions has been widely documented, highlighting its importance in modern synthetic methodologies.