ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate


Chemical Name: ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number: 851334-92-4
Product Number: AG008GE5(AGN-PC-03ZL5P)
Synonyms:
MDL No:
Molecular Formula: C15H20BFO4
Molecular Weight: 294.1263

Identification/Properties


Computed Properties
Molecular Weight:
294.129g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
294.144g/mol
Monoisotopic Mass:
294.144g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
383
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a versatile compound that finds significant applications in organic chemical synthesis. This compound serves as a key building block in the construction of various complex organic molecules due to its unique chemical reactivity and structural features.One of the primary uses of Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is as a valuable source of the 3-fluorobenzoate functional group in organic synthesis. This functional group can participate in a wide range of chemical transformations, such as nucleophilic substitution reactions, coupling reactions, and cross-coupling reactions. As a result, this compound plays a crucial role in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.Furthermore, the boron-containing moiety in Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate imparts unique properties that enable selective and efficient functionalization reactions. The boron atom serves as a directing group in various synthetic methods, allowing for site-selective functionalization of aromatic rings and facilitating the formation of complex molecular architectures.Overall, Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a valuable tool in the hands of synthetic chemists, enabling the construction of intricate molecular structures and the development of novel chemical entities with diverse applications.