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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)-

Methanesulfonic acid, trifluoro-, 4,5-dimethyl-2-(trimethylsilyl)phenylester

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Chemical Name: Methanesulfonic acid, trifluoro-, 4,5-dimethyl-2-(trimethylsilyl)phenylester
CAS Number: 458566-99-9
Product Number: AG01EN1H(AGN-PC-0RU56Z)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
326.405g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
326.062g/mol
Monoisotopic Mass:
326.062g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
436
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#:
3265
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4,5-Dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate is a versatile reagent widely used in chemical synthesis as a powerful and selective electrophilic trifluoromethylation agent. It plays a crucial role in the introduction of trifluoromethyl groups into organic molecules, a transformation that is highly sought after in medicinal chemistry, materials science, and agrochemical research.The presence of the trifluoromethyl group in organic molecules can impart unique and desirable properties, such as increased lipophilicity, metabolic stability, and bioactivity. The electrophilic nature of 4,5-Dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate allows for the direct and efficient installation of trifluoromethyl groups onto a variety of functional groups, including alcohols, amines, and heterocycles.Moreover, this reagent exhibits high chemoselectivity and mild reaction conditions, making it particularly valuable in complex synthetic sequences where the selective introduction of a trifluoromethyl group is required. Its compatibility with a range of functional groups and its ease of handling make 4,5-Dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate a valuable tool for synthetic chemists seeking to access novel trifluoromethyl-containing compounds with potential applications in drug discovery and material design.