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CS-W001157 4
Total: USD 88.00

3-(N-(tert-Butyldimethylsilyl)-S-methylsulfonimidoyl)-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate

  • CAS No. 2305948-69-8

  • Cat. No. CS-0650651
  • Molecule weight423.55
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(N-(tert-Butyldimethylsilyl)-S-methylsulfonimidoyl)-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate|CS-0650651

Structure of 2305948-69-8

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General Information

  • CAS No. 2305948-69-8
  • Cat. No. CS-0650651
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₄F₃N₃O₄S₂Si
  • Molecular Weight 423.55
  • Synonym(s) None
  • SMILES O=S([O-])(C(F)(F)F)=O.O=S([N+]1=CN(C=C1)C)(C)=N[Si](C(C)(C)C)(C)C

Description

This imidazolium salt features a tert-butyldimethylsilyl-protected sulfonimidoyl group and a methylsulfonamide moiety, enabling stable, selective functionalization in synthetic transformations. The trifluoromethanesulfonate counterion ensures high solubility and reactivity under mild conditions.

Application

3-(N-(tert-Butyldimethylsilyl)-S-methylsulfonimidoyl)-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate serves as a stable, bench-accessible imidazolium salt that facilitates mild electrophilic sulfonimidation. The tert-butyldimethylsilyl group enables orthogonal protection of nitrogen functionalities, while the S-methylsulfonimidoyl moiety provides a versatile handle for subsequent transformations. Its triflate counterion enhances solubility and reactivity in polar solvents, supporting efficient functionalization in synthetic sequences involving heterocyclic scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   95.44
  • LogP   2.2301
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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