(1-Methyl-1H-benzimidazol-5-yl)boronic acid


Chemical Name: (1-Methyl-1H-benzimidazol-5-yl)boronic acid
CAS Number: 1107627-21-3
Product Number: AG0083CW(AGN-PC-0WA1MV)
Synonyms:
MDL No:
Molecular Formula: C8H9BN2O2
Molecular Weight: 175.9803

Identification/Properties


Computed Properties
Molecular Weight:
175.982g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.076g/mol
Monoisotopic Mass:
176.076g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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



In chemical synthesis, B-(1-Methyl-1H-benzimidazol-5-yl)boronic acid serves as a versatile building block for the construction of various organic molecules. With its unique boronic acid functionality, this compound is commonly employed in Suzuki-Miyaura cross-coupling reactions to forge carbon-carbon bonds. Additionally, its benzimidazole moiety adds further versatility, enabling the formation of biologically active molecules and materials with specific properties. This reagent is particularly valuable in medicinal chemistry, material science, and agrochemical research for the design and synthesis of new compounds with diverse applications.