4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine


Chemical Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
CAS Number: 1036990-42-7
Product Number: AG00368A(AGN-PC-07H85N)
Synonyms:
MDL No:
Molecular Formula: C12H15BF3NO2
Molecular Weight: 273.0592

Identification/Properties


Properties
BP:
349.3°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
273.062g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
273.115g/mol
Monoisotopic Mass:
273.115g/mol
Topological Polar Surface Area:
31.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
330
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

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NMR Spectrum


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Chemical Structure



The compound 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine is a versatile reagent commonly used in chemical synthesis. Its unique structure allows for a range of applications in organic chemistry. One key use of this compound is in cross-coupling reactions, specifically in the formation of carbon-carbon bonds. The boron atom in the molecule serves as a useful handle for introducing the pyridine moiety into complex organic molecules. Additionally, the trifluoromethyl group can impart important properties to the final product, such as enhanced chemical stability or altered reactivity.Furthermore, the presence of both boron and fluorine substituents in the molecule makes it valuable in medicinal chemistry for designing new pharmaceuticals or in materials science for creating functional materials with specific properties. This compound's ability to participate in diverse chemical transformations makes it a valuable tool for synthetic chemists seeking to access unique molecular architectures or develop novel compounds with potential applications in various fields.