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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-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid

OB(c1cc(nn1C(C)C)C(F)(F)F)O Request for Quotation
Chemical Name: [2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
CAS Number: 1361380-69-9
Product Number: AG009WUZ(AGN-PC-0H5W1B)
Synonyms:
MDL No:
Molecular Formula: C7H10BF3N2O2
Molecular Weight: 221.9727

Identification/Properties

Computed Properties
Molecular Weight:
221.974g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
222.079g/mol
Monoisotopic Mass:
222.079g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid is a valuable chemical reagent commonly utilized in chemical synthesis processes. Its unique structural properties make it an essential building block in the creation of various organic compounds. This compound is particularly sought after in the pharmaceutical industry for drug discovery and development due to its versatile nature and ability to participate in key reactions.One of the prominent applications of (1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid is its role as a cross-coupling reagent in Suzuki-Miyaura reactions. These reactions involve the coupling of an aryl or vinyl boronic acid with an aryl or vinyl halide under the catalysis of palladium. This process is crucial in the formation of carbon-carbon bonds, allowing for the synthesis of complex organic molecules with high efficiency and selectivity.Furthermore, this pyrazole-based boronic acid can also be employed in transition metal-catalyzed cross-coupling reactions to introduce the trifluoromethyl group into organic molecules. The trifluoromethyl moiety is a highly valuable functional group in medicinal chemistry and agrochemicals due to its unique physicochemical properties, making this reagent an indispensable tool in the construction of fluorinated compounds.Overall, the (1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid plays a pivotal role in modern organic synthesis by enabling the efficient and precise construction of intricate molecular frameworks essential for various applications, particularly in the fields of pharmaceuticals and materials science.