Organofluorine / Alfa Chemistry
(2R,3R)-1-fluoro-4-methyl-2,3-diphenyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)

(2R,3R)-1-fluoro-4-methyl-2,3-diphenyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)

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(2R,3R)-1-fluoro-4-methyl-2,3-diphenyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)
Catalog OFC1499076311
CAS 1499076-31-1
Category Other Fluorinated Group Introducing Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C19H23FN2.2CHF3O3S/c1-21-12-14-22(20,15-13-21)19(17-10-6-3-7-11-17)18(21)16-8-4-2-5-9-16;2*2-1(3,4)8(5,6)7/h2-11,18-19H,12-15H2,1H3;2*(H,5,6,7)/q+2;;/p-2/t18-,19-,21?,22?;;/m1../s1
InChI Key MGPYGEQIPUYCBO-AVATVAMJSA-L
Canonical SMILES C[N+]12CC[N+](F)(CC1)[C@H](c1ccccc1)[C@H]2c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C21H23F7N2O6S2
Molecular Weight 596.543
Melting Point 174-176 °C
Appearance pale yellow solid
Exact Mass 596.0886

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