1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole


Chemical Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole
CAS Number: 1423123-94-7
Product Number: AG00HWH8(AGN-PC-0WAJYA)
Synonyms:
MDL No:
Molecular Formula: C9H16BN3O2
Molecular Weight: 209.0532

Identification/Properties


Computed Properties
Molecular Weight:
209.056g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
209.134g/mol
Monoisotopic Mass:
209.134g/mol
Topological Polar Surface Area:
49.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
244
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



1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole is a versatile compound widely utilized in chemical synthesis due to its unique properties. In organic chemistry, this compound serves as a valuable building block for the synthesis of various complex molecules. Its functional groups enable efficient cross-coupling reactions, particularly in the formation of carbon-carbon and carbon-heteroatom bonds.Furthermore, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole plays a crucial role in medicinal chemistry, where it is employed in the development of pharmaceuticals and bioactive compounds. Its structural features make it a valuable tool in the design and modification of drug candidates, enhancing their efficacy and specificity.Additionally, this compound finds utility in materials science for the synthesis of advanced polymers and functional materials. Through controlled chemical reactions, it can be incorporated into polymer chains to impart desired properties such as enhanced stability, conductivity, or reactivity.Overall, the application of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole in chemical synthesis spans across various disciplines, highlighting its significance in the creation of diverse molecular structures and functional materials.