Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

Base Information

• Chemical Name: Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
• CAS No.: 117271-77-9
• Molecular Formula: C36H32F24N4P4
• Molecular Weight: 1100.53
• European Community (EC) Number: 679-956-1
• DSSTox Substance ID: DTXSID00452863
• Mol file: 117271-77-9.mol

Synonyms:117271-77-9;Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate);5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate;C1749;DTXSID00452863;ORRBEFRZPYDCAJ-UHFFFAOYSA-N;MFCD08276322;AKOS025394182;D89455;J-003547;Cyclobis(paraquat-p-phenylene) tetrakis(hexafluorophosphate);Cyclobis(paraquat-p-phenylene)tetrakis(hexafluorophosphate);Cyclo-bis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate);Cyclo-bis(paraquat-1,4-phenylene)tetrakis(hexafluorophosphate);5,12,19,26-Tetraazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaene, hexafluorophosphate(1-) (1:4)

Chemical Property of Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

Chemical Property:

• Melting Point: 275 °C
• PSA: 69.88000
• LogP: 18.20680
• Solubility.: soluble in Dimethylformamide
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 0
• Exact Mass: 1100.1194209
• Heavy Atom Count: 68
• Complexity: 674

Purity/Quality:

98% ^*data from raw suppliers

Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=CC=[N+](CC5=CC=C(C[N+]6=CC=C(C=C6)C7=CC=[N+]1C=C7)C=C5)C=C4)C=C2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
• Uses: Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) is used in the formation of oligorotaxanes, capable of exerting high forces when folding under mechanical load, or, capable of functioning as molecular pumps.

Technology Process of Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

There total 27 articles about Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

1,4-bis(bromomethyl)benzene (623-24-5) + 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) (108861-20-7) → cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (117271-77-9)

Guidance literature:

With 1,5-bis(2-(2-methoxyethoxy)ethoxy)naphthalene; In N,N-dimethyl-formamide; for 72h; under 9000720 Torr; Ambient temperature;

DOI:10.1021/jo961488i

Reference yield: 68.0%

1,4-bis(bromomethyl)benzene (623-24-5) + 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) (108861-20-7) + 2,2'-dihydroxy-bis(m-phenylene)-32-crown-10 (118356-88-0) → C28H40O12*C36H32N4(4+)*4F6P(1-) + cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (117271-77-9)

Guidance literature:

1,4-bis(bromomethyl)benzene; 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate); 2,2'-dihydroxy-bis(m-phenylene)-32-crown-10; In N,N-dimethyl-formamide; at 20 ℃; for 120h;

With ammonium hexafluorophosphate; water;

DOI:10.1002/ejoc.201000910

Reference yield: 63.0%

1,4-bis(bromomethyl)benzene (623-24-5) + 4,4'-bipyridine (553-26-4) + sodium hexaflorophosphate + p-Xylylene dichloride (623-25-6) → cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) (117271-77-9)

Guidance literature:

4,4'-bipyridine; p-Xylylene dichloride; In N,N-dimethyl-formamide; at 85 ℃; for 48h;

1,4-bis(bromomethyl)benzene; In N,N-dimethyl-formamide; for 24h;

sodium hexaflorophosphate; at 85 ℃; for 12h;

DOI:10.1021/acs.analchem.0c00554

upstream raw materials:

1,4-bis(bromomethyl)benzene

1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate)

C₃₆H₃₂N₄⁽⁴⁺⁾*C₆H₄S₄*4F₆P^(1-)