3-((4-methylpiperazin-1-yl)methyl)phenylboronic acid


Chemical Name: 3-((4-methylpiperazin-1-yl)methyl)phenylboronic acid
CAS Number: 1171044-16-8
Product Number: AG000DQJ(AGN-PC-0WALMQ)
Synonyms:
MDL No:
Molecular Formula: C12H19BN2O2
Molecular Weight: 234.1025

Identification/Properties


Computed Properties
Molecular Weight:
234.106g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
234.154g/mol
Monoisotopic Mass:
234.154g/mol
Topological Polar Surface Area:
46.9A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
233
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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Chemical Structure



The B-[3-[(4-Methyl-1-piperazinyl)methyl]phenyl]boronic acid is a versatile compound used in chemical synthesis for the formation of carbon-carbon and carbon-heteroatom bonds. This Boronic acid derivative serves as a key building block in the creation of pharmaceuticals, agrochemicals, and materials due to its ability to undergo Suzuki-Miyaura cross-coupling reactions. By forming stable complexes with various catalysts, this compound enables the efficient and selective synthesis of complex organic molecules. Additionally, its unique structural properties make it an essential reagent in the development of novel bioactive compounds and functional materials with tailored properties.