Boronic acid, (3-fluoro-4-propoxyphenyl)-


Chemical Name: Boronic acid, (3-fluoro-4-propoxyphenyl)-
CAS Number: 192376-68-4
Product Number: AG002FW9(AGN-PC-00UQAV)
Synonyms:
MDL No:
Molecular Formula: C9H12BFO3
Molecular Weight: 197.9992

Identification/Properties


Properties
MP:
102-107 °C(lit.);
BP:
339.465°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
198.086g/mol
Monoisotopic Mass:
198.086g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
168
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(3-Fluoro-4-propoxyphenyl)boronic acid is a valuable chemical reagent with versatile applications in organic synthesis. This compound is commonly used as a building block in the preparation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties.In chemical synthesis, (3-Fluoro-4-propoxyphenyl)boronic acid serves as a key intermediate in the synthesis of biologically active molecules and organic compounds. It can participate in a variety of cross-coupling reactions, such as Suzuki-Miyaura coupling, to form carbon-carbon bonds with aryl and vinyl halides. This allows for the efficient construction of complex molecular structures.Furthermore, the fluoro substituent in (3-Fluoro-4-propoxyphenyl)boronic acid provides an additional handle for further functionalization, enabling the introduction of fluorine atoms into target molecules. This is particularly important in medicinal chemistry, where fluorinated compounds often exhibit enhanced biological activities and improved pharmacokinetic properties.Overall, (3-Fluoro-4-propoxyphenyl)boronic acid is a versatile and valuable tool in the hands of synthetic chemists, facilitating the preparation of diverse chemical compounds with potential applications in drug discovery, materials science, and agrochemical development.