Boronic acid, [4-(acetylamino)-3-fluorophenyl]-


Chemical Name: Boronic acid, [4-(acetylamino)-3-fluorophenyl]-
CAS Number: 626251-12-5
Product Number: AG01DFAU(AGN-PC-0ODT1X)
Synonyms:
MDL No: MFCD26141998
Molecular Formula: C8H9BFNO3
Molecular Weight: 196.9713632

Identification/Properties


Computed Properties
Molecular Weight:
196.972g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
197.066g/mol
Monoisotopic Mass:
197.066g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
215
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Acetamido-3-fluorophenylboronic Acid is a valuable reagent in chemical synthesis due to its versatile applications in organic chemistry. This compound is commonly used as a building block in the synthesis of complex pharmaceuticals, agrochemicals, and advanced materials. Its boronic acid functionality allows for efficient coupling reactions with various electrophiles, such as halides and esters, to form carbon-carbon and carbon-heteroatom bonds.One of the key applications of 4-Acetamido-3-fluorophenylboronic Acid is in Suzuki-Miyaura cross-coupling reactions, a widely utilized method for the synthesis of biaryl compounds. By reacting this boronic acid derivative with an aryl halide or triflate in the presence of a palladium catalyst, a new carbon-carbon bond can be formed, leading to the construction of complex molecular structures with high efficiency and selectivity.Additionally, this compound can participate in transition metal-catalyzed borylation reactions, enabling the introduction of boron functional groups into organic molecules. These boron-containing intermediates can further undergo diverse transformations, such as oxidative coupling, hydroboration, and Suzuki-Miyaura reactions, expanding the synthetic possibilities for chemical synthesis.Overall, 4-Acetamido-3-fluorophenylboronic Acid serves as a valuable tool for organic chemists seeking to design and construct intricate molecular architectures for various applications in the fields of pharmaceuticals, materials science, and agrochemicals. Its compatibility with a range of synthetic methodologies makes it a versatile and indispensable reagent in modern chemical synthesis.