4,4,5,5-tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane


Chemical Name: 4,4,5,5-tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane
CAS Number: 942069-95-6
Product Number: AG003KDA(AGN-PC-07XU6O)
Synonyms:
MDL No:
Molecular Formula: C12H14BCl3O2
Molecular Weight: 307.4084

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
307.402g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
306.015g/mol
Monoisotopic Mass:
306.015g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
296
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



4,4,5,5-Tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane is a valuable reagent widely utilized in chemical synthesis. This compound acts as a versatile building block in the creation of various organic compounds due to its unique structural properties. In organic synthesis, it serves as a key component in the formation of complex molecules through Suzuki-Miyaura cross-coupling reactions. This reaction involves the coupling of an aryl halide and an organoboron compound catalyzed by a palladium catalyst, leading to the formation of biaryl compounds with high regioselectivity. The use of 4,4,5,5-Tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane in these reactions enables chemists to construct elaborate molecular structures efficiently and effectively. Furthermore, its high stability and compatibility with a wide range of functional groups make it a valuable tool in the synthesis of pharmaceuticals, agrochemicals, materials, and other important organic molecules.