3-Fluoro-4-nitrophenylboronic acid, pinacol ester


Chemical Name: 3-Fluoro-4-nitrophenylboronic acid, pinacol ester
CAS Number: 939968-60-2
Product Number: AG00H1TQ(AGN-PC-0WA8MU)
Synonyms:
MDL No:
Molecular Formula: C12H15BFNO4
Molecular Weight: 267.0612

Identification/Properties


Computed Properties
Molecular Weight:
267.063g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.108g/mol
Monoisotopic Mass:
267.108g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
355
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a valuable reagent in chemical synthesis due to its unique properties and versatile applications. This compound serves as a key building block in organic chemistry, particularly in the field of boron-containing compounds. In chemical synthesis, 2-(3-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be used as a boron source for the construction of complex organic molecules through various reactions such as Suzuki-Miyaura cross-coupling, which is a widely utilized method for linking two different organic fragments together. The boron atom in this compound can readily undergo transmetalation with different metal catalysts, leading to the formation of new carbon-carbon bonds efficiently and selectively. Furthermore, the presence of the fluoro and nitro groups in this dioxaborolane derivative enhances its reactivity and allows for further functionalization of the resulting products. This compound enables chemists to introduce specific functionalities into target molecules, facilitating the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its structural features make it a valuable tool for the design and preparation of diverse organic compounds with tailored properties and applications.