2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate

C₁₅H₂₃F₃O₄SCAS 59643-43-5356.40 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₁₅H₂₃F₃O₄S
Molar mass: 356.40 g/mol
Exact mass: 356.1269 Da
logP: 4.52Crippen estimate
Polar surface area: 68.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

59643-43-5

SMILES

CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChIKey

OTVABNVGYCQZFO-UHFFFAOYSA-M

InChI

InChI=1S/C14H23O.CHF3O3S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;2-1(3,4)8(5,6)7/h8-9H,1-7H3;(H,5,6,7)/q+1;/p-1

Weigh it out

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Names and synonyms

1 names

2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate

Work with 2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Zinc triflate54010-75-2Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-342 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-032 % similar 3,5-Di-tert-butyltoluene15181-11-032 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-132 % similar 2,6-Di-tert-butyl-4-methylpyridine38222-83-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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