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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)-

[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid

OB(c1cnc(nc1)C(F)(F)F)O Request for Quotation
Chemical Name: [2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CAS Number: 1308298-23-8
Product Number: AG000UZ8(AGN-PC-0ALQOC)
Synonyms:
MDL No:
Molecular Formula: C5H4BF3N2O2
Molecular Weight: 191.9037

Identification/Properties

Computed Properties
Molecular Weight:
191.904g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
192.032g/mol
Monoisotopic Mass:
192.032g/mol
Topological Polar Surface Area:
66.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
170
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


(2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid is a versatile compound widely used in chemical synthesis as a valuable building block in organic chemistry. Its unique trifluoromethyl functionality enhances the reactivity and selectivity of reactions, making it a valuable tool for the synthesis of complex molecules.One key application of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid is in the field of medicinal chemistry, where it is utilized in the design and synthesis of new drug candidates. The trifluoromethyl group can significantly impact the pharmacokinetic properties of the resulting molecules, leading to improved potency, metabolic stability, and bioavailability.Additionally, this boronic acid derivative plays a crucial role in the development of agrochemicals and materials science. Its ability to participate in a variety of cross-coupling reactions enables the efficient construction of carbon-carbon and carbon-heteroatom bonds, facilitating the synthesis of complex organic molecules with diverse applications.Overall, (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid is a valuable reagent in chemical synthesis, offering a wide range of possibilities for the creation of novel compounds across various scientific disciplines.