[4-[(dimethylamino)methyl]phenyl]boronic acid;hydrochloride


Chemical Name: [4-[(dimethylamino)methyl]phenyl]boronic acid;hydrochloride
CAS Number: 938465-64-6
Product Number: AG00H5N2(AGN-PC-0HZ8D1)
Synonyms:
MDL No: MFCD10698488
Molecular Formula: C9H15BClNO2
Molecular Weight: 215.4849

Identification/Properties


Computed Properties
Molecular Weight:
215.484g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
215.088g/mol
Monoisotopic Mass:
215.088g/mol
Topological Polar Surface Area:
43.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
145
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



(4-((Dimethylamino)methyl)phenyl)boronic acid hydrochloride is a versatile chemical reagent commonly used in organic synthesis. It serves as a key building block for the preparation of various organic compounds, particularly in the synthesis of pharmaceuticals, agrochemicals, and materials science.Known for its reactivity and compatibility with a wide range of functional groups, this compound is frequently employed in Suzuki-Miyaura cross-coupling reactions. By acting as a boronate ester, it facilitates the formation of carbon-carbon bonds, enabling the efficient construction of complex molecular structures. This reagent is also utilized in the modification of biologically active molecules, offering a valuable tool for medicinal chemists in drug discovery research.Moreover, (4-((Dimethylamino)methyl)phenyl)boronic acid hydrochloride has found applications in the development of novel organic materials, such as conductive polymers and liquid crystals. Its unique boronic acid functionality enables the design of new functional materials with tailored properties, making it an essential component in the field of materials chemistry.In summary, the use of (4-((Dimethylamino)methyl)phenyl)boronic acid hydrochloride in chemical synthesis plays a crucial role in the creation of diverse organic compounds with applications ranging from pharmaceuticals to materials science.