1-N-Hexyl-3-methylimidazolium hexafluorophosphate

• CAS: 304680-35-1
• Catalog Number: ACM304680351
• Category: Other Products
• Molecular Weight: 312.24
• Molecular Formula: C₁₀H₁₉F₆N₂P
• Synonyms: 1-Hexyl-3-methylimidazolium hexafluorophosphate, 304680-35-1, HMIMPF6, AC1MC0IW, ACMC-209hg2, DSSTox_CID_27925, DSSTox_RID_82678, DSSTox_GSID_47949, KSC222C9L, 89320_FLUKA, CTK1C2195, MolPort-003-939-620, Tox21_200735, ANW-26880, AKOS005145790, AKOS015833798, AG-F-00420, NCGC00248972-01, NCGC00258289-01, KB-84575
• IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;hexafluorophosphate
• Canonical SMILES: CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• InChI Key: YPWSSSRXUOQNMQ-UHFFFAOYSA-N
• Melting Point: -73.5ºC
• Density: 1.3045
• Appearance: Clear colorless to orange liquid
• Exact Mass: 312.11900
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Safety Description: S26-S37/39
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 616-47-7
• 544-10-5

• 304680-35-1

Reference: [1] Tetrahedron Letters, 2003, vol. 44, # 51, p. 9223 - 9224
[2] Patent: EP1182197, 2002, A1, . Location in patent: Page 10
[3] Analytical Chemistry, 2004, vol. 76, # 17, p. 5039 - 5044
[4] Tetrahedron Letters, 2003, vol. 44, # 16, p. 3337 - 3340
[5] Journal of Chemical and Engineering Data, 2003, vol. 48, # 3, p. 486 - 491

Upstream Synthesis Route 2

• 85100-78-3

• 304680-35-1

Reference: [1] Asian Journal of Chemistry, 2011, vol. 23, # 1, p. 97 - 99
[2] Angewandte Chemie - International Edition, 2007, vol. 46, # 28, p. 5384 - 5388
[3] Chinese Journal of Catalysis, 2013, vol. 34, # 4, p. 769 - 780
[4] Bulletin of the Chemical Society of Japan, 2016, vol. 89, # 9, p. 1106 - 1128
[5] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2018, vol. 201, p. 134 - 142

Upstream Synthesis Route 3

• 616-47-7
• 111-25-1

• 304680-35-1

Reference: [1] Synlett, 2007, # 13, p. 2065 - 2068
[2] Synthesis, 2003, # 17, p. 2626 - 2628
[3] Journal of Fluorine Chemistry, 2008, vol. 129, # 2, p. 108 - 111
[4] Analytical Chemistry, 2001, vol. 73, # 15, p. 3737 - 3741

Upstream Synthesis Route 4

• 616-47-7
• 111-25-1

• 304680-35-1

Reference: [1]Synlett,2007,p. 2065 - 2068
[2]Synthesis,2003,p. 2626 - 2628
[3]Journal of Fluorine Chemistry,2008,vol. 129,p. 108 - 111
[4]Analytical Chemistry,2001,vol. 73,p. 3737 - 3741

Upstream Synthesis Route 5

• 616-47-7
• 544-10-5

• 304680-35-1

Reference: [1]Tetrahedron Letters,2003,vol. 44,p. 9223 - 9224
[2]Patent: EP1182197,2002,A1 .Location in patent: Page 10
[3]Analytical Chemistry,2004,vol. 76,p. 5039 - 5044
[4]Tetrahedron Letters,2003,vol. 44,p. 3337 - 3340
[5]Journal of Chemical and Engineering Data,2003,vol. 48,p. 486 - 491

Upstream Synthesis Route 6

• 171058-17-6

• 304680-35-1

Reference: [1]Synthesis,2006,p. 2543 - 2550
[2]Tetrahedron Letters,2010,vol. 51,p. 2450 - 2452