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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)-

1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

Cn1nc(c(c1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F Request for Quotation
Chemical Name: 1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CAS Number: 1218790-53-4
Product Number: AG00169R(AGN-PC-0WAJXW)
Synonyms:
MDL No:
Molecular Formula: C11H16BF3N2O2
Molecular Weight: 276.0631

Identification/Properties

Computed Properties
Molecular Weight:
276.066g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
276.126g/mol
Monoisotopic Mass:
276.126g/mol
Topological Polar Surface Area:
36.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
346
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole is a versatile compound widely used in chemical synthesis processes. This compound plays a crucial role as a building block in the preparation of various organic molecules, particularly in the field of medicinal chemistry. Its unique structure and reactivity make it a valuable tool for the synthesis of complex molecules with specific biological activities.In chemical synthesis, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole acts as a key intermediate for the introduction of functional groups such as trifluoromethyl and boron-containing moieties into target molecules. These functional groups significantly influence the physicochemical properties and biological activities of the final compounds.Additionally, this compound serves as a valuable cross-coupling partner in transition metal-catalyzed reactions, enabling the formation of carbon-carbon and carbon-heteroatom bonds in a controlled manner. Its trifluoromethyl and boron-based functionalities allow for strategic modifications and diversifications in the molecular structure, empowering chemists to access novel chemical entities and optimize their properties for specific applications.Overall, the application of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole in chemical synthesis exemplifies its significance in modern organic chemistry as a valuable reagent for the construction of diverse chemical scaffolds with potential biological relevance.