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


Chemical Name: 2-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number: 942069-65-0
Product Number: AG003ETL(AGN-PC-07XUG3)
Synonyms:
MDL No:
Molecular Formula: C13H15BClF3O2
Molecular Weight: 306.5162

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
306.516g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
306.081g/mol
Monoisotopic Mass:
306.081g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
357
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



The 2-(3-Chloro-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (commonly referred to as $name$) is a versatile chemical compound that finds ample application in chemical synthesis processes. This unique boronic ester derivative serves as a key building block in organic synthesis, particularly in the field of medicinal chemistry and material science. In chemical reactions, $name$ can act as a valuable reagent for the introduction of the 3-chloro-5-(trifluoromethyl)phenyl group into various organic molecules, enabling the synthesis of new compounds with tailored physicochemical properties. Furthermore, $name$ can participate in palladium-catalyzed cross-coupling reactions, facilitating the formation of carbon-carbon bonds and facilitating the synthesis of complex organic molecules. Its tetramethyl substitution pattern enhances its stability and reactivity, making it an essential tool in the toolbox of synthetic chemists striving to access diverse chemical space and develop novel materials with potential applications in pharmaceuticals, agrochemicals, and advanced materials.