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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-Trifluoromethyl-pyridine-3-boronic acid

OB(c1cnccc1C(F)(F)F)O Request for Quotation
Chemical Name: 4-Trifluoromethyl-pyridine-3-boronic acid
CAS Number: 947533-41-7
Product Number: AG00IIIJ(AGN-PC-0786LS)
Synonyms:
MDL No:
Molecular Formula: C6H5BF3NO2
Molecular Weight: 190.9156

Identification/Properties

Computed Properties
Molecular Weight:
190.916g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
191.037g/mol
Monoisotopic Mass:
191.037g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


(4-(Trifluoromethyl)pyridin-3-yl)boronic acid is a versatile building block commonly used in organic synthesis. This compound serves as a key reagent in Suzuki-Miyaura cross-coupling reactions, allowing for the formation of carbon-carbon bonds under mild conditions. The presence of the boronic acid functional group enables selective and efficient coupling with various aryl halides or pseudohalides, providing access to a wide range of biaryl compounds. Additionally, the trifluoromethyl group enhances the chemical and physical properties of the resulting products, making them valuable intermediates in pharmaceutical and agrochemical industries. The use of (4-(Trifluoromethyl)pyridin-3-yl)boronic acid in chemical synthesis offers a powerful and strategic approach for the construction of complex organic molecules with diverse applications in medicinal chemistry, materials science, and beyond.