6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate, min. 98%

• CAS: 862095-91-8
• Catalog Number: ACM862095918
• Category: Other Products
• Molecular Weight: 362.994g/mol
• Molecular Formula: C11H7BF9N3
• Synonyms: MFCD08459335; CTK8E9131; DTXSID90457105; 6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate; CS-B0758; 6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate; RT-010463; 2-(PERFLUOROPHENYL)-6,7-DIHYDRO-5H-PYRROLO[2,1-C][1,2,4]TRIAZOL-2-IUM TETRAFLUOROBORATE
• IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1)C3=C(C(=C(C(=C3F)F)F)F)F
• InChI: InChI=1S/C11H7F5N3.BF4/c12-6-7(13)9(15)11(10(16)8(6)14)19-4-18-3-1-2-5(18)17-19;2-1(3,4)5/h4H,1-3H2;/q+1;-1
• InChI Key: KIWCIWCCQVTPOY-UHFFFAOYSA-N
• Application: Reagent used in the highly enantioand diastereoselective, catalytic intramolecular Stetter reaction.; ; Enantioselective synthesis of β-hydroxy and β-amino esters.; ; Organocatalytic iminium ion/carbene reaction cascade for the formation of 2,4-disubstituted cyclopentenones.; ; Synthesis of alloand epi-Inositol via the NHC-catalyzed carbocyclization of carbohydrate-derived dialdehydes
• Complexity: 349
• Covalently-Bonded Unit Count: 2
• Exact Mass: 363.059g/mol
• H-Bond Acceptor: 11
• Heavy Atom Count: 24
• Monoisotopic Mass: 363.059g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 21.7A^2

Synthetic Use

Upstream Synthesis Route 1

• 616-45-5
• 122-51-0
• 828-73-9

• 862095-91-8

Reference: [1]Journal of Organic Chemistry,2008,vol. 73,p. 2784 - 2791
[2]Angewandte Chemie - International Edition,2010,vol. 49,p. 4491 - 4494