4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane


Chemical Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
CAS Number: 832114-04-2
Product Number: AG003KD8(AGN-PC-0KKO27)
Synonyms:
MDL No:
Molecular Formula: C13H16BF3O3
Molecular Weight: 288.0705

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
288.073g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
288.114g/mol
Monoisotopic Mass:
288.114g/mol
Topological Polar Surface Area:
27.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
341
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane is a versatile compound utilized in chemical synthesis as a key building block for the construction of complex molecules. This unique boron-containing compound serves as a valuable reagent in organic chemistry, particularly in the realm of transition metal-catalyzed cross-coupling reactions.In organic synthesis, 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane can be employed as a boronic acid derivative to facilitate Suzuki-Miyaura coupling reactions. This powerful synthetic tool enables the efficient construction of carbon-carbon bonds, allowing for the assembly of intricate molecular structures with high precision and selectivity. By participating in cross-coupling reactions, this compound enables chemists to access a wide range of functionalized organic compounds that are crucial for the development of pharmaceuticals, agrochemicals, and materials science.Additionally, the trifluoromethoxy substituent present in 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane enhances the reactivity and selectivity of the compound in various chemical transformations. Its unique electronic properties contribute to the success of cross-coupling reactions and other synthetic methodologies, making it a valuable tool for medicinal chemists, process chemists, and academic researchers seeking to access novel chemical entities.Overall, 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane plays a crucial role in modern organic synthesis by enabling the efficient construction of complex molecules with diverse applications in the field of chemistry.