Boronic acid, [4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-


Chemical Name: Boronic acid, [4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-
CAS Number: 159191-56-7
Product Number: AG003KAP(AGN-PC-0NG0EK)
Synonyms:
MDL No: MFCD03093888
Molecular Formula: C12H21BO3Si
Molecular Weight: 252.1898

Identification/Properties


Properties
MP:
194-198 °C(lit.);
BP:
321.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
252.192g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
252.135g/mol
Monoisotopic Mass:
252.135g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
243
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



4-(tert-Butyldimethylsiloxy)phenyl boronic acid is a versatile compound widely used in chemical synthesis as a key building block in the creation of various organic molecules. Its strategic incorporation in synthesis processes allows for the introduction of the phenyl boronic acid moiety into complex organic frameworks, enabling the formation of important carbon-carbon and carbon-heteroatom bonds. Additionally, this compound serves as a valuable intermediate in the preparation of pharmaceuticals, agrochemicals, and materials due to its unique reactivity and compatibility with various reaction conditions. Furthermore, its tert-butyldimethylsiloxy group provides steric hindrance and stability, enhancing its utility in challenging synthetic transformations.