N-butyl-3-metylpyridinium bis((trifluoromethyl)sulfonyl)imide

• CAS: 344790-86-9
• Catalog Number: ACM344790869
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 430.4g/mol
• Molecular Formula: C12H16F6N2O4S2
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylpyridin-1-ium
• Canonical SMILES: CCCC[N+]1=CC=CC(=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C10H16N.C2F6NO4S2/c1-3-4-7-11-8-5-6-10(2)9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
• InChI Key: NOFBAVDIGCEKOQ-UHFFFAOYSA-N
• Abbreviation: B3MePyNTF2
• Chemical Formula: B3MePyNTF2
• Complexity: 475
• Covalently-Bonded Unit Count: 2
• Exact Mass: 430.045568g/mol
• Formal Charge: 0
• H-Bond Acceptor: 11
• H-Bond Donor: 0
• Heavy Atom Count: 26
• Monoisotopic Mass: 430.045568g/mol
• Rotatable Bond Count: 5

Synthetic Use

Upstream Synthesis Route 1

• 108-99-6

• 344790-86-9

Reference: [1]Ford, Leigh; Ylijoki, Kai E.O.; Garcia, M. Teresa; Singer, Robert D.; Scammells, Peter J.
[Australian Journal of Chemistry, 2015, vol. 68, # 6, p. 849 - 857]

Upstream Synthesis Route 2

• 26576-85-2
• 90076-65-6

• 344790-86-9

Reference: [1]Australian Journal of Chemistry,2015,vol. 68,p. 849 - 857