4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide

Base Information

• Chemical Name: 4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide
• CAS No.: 90179-58-1
• Molecular Formula: 2Br*C₄₆H₈₂N₂
• Molecular Weight: 822.978
• European Community (EC) Number: 626-750-4
• ChEMBL ID: CHEMBL2031399
• DSSTox Substance ID: DTXSID80463230
• Mol file: 90179-58-1.mol

Synonyms:90179-58-1;Octadecyl viologen dibromide;4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide;1,1'-Dioctadecyl-[4,4'-bipyridine]-1,1'-diium bromide;1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide;1,1-Dioctadecyl-4,4-bipyridinium dibromide;1,1'-Dioctadecyl-4,4'-bipyridinium dibromide;SCHEMBL1946113;CHEMBL2031399;DTXSID80463230;AKOS024370270;1,1'-Dioctadecyl-4,4'-bipyridinium dibromide, 97%;1,1'-Dioctadecyl-[4,4'-bipyridine]-1,1'-diiumbromide

Chemical Property of 4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide

Chemical Property:

• Melting Point: 210-220°C (dec.) (lit.)
• Storage Temp.: room temp
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 35
• Exact Mass: 822.48243
• Heavy Atom Count: 50
• Complexity: 564

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,1′-Dioctadecyl-4,4′-bipyridinium dibromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

Technology Process of 4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide

There total 3 articles about 4,4'-Bipyridinium, 1,1'-dioctadecyl-, dibromide 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: 85.0%

4,4'-bipyridine (553-26-4) + 1-Bromooctadecane (112-89-0) → 1,1’-dioctadecyl-4,4’-bipyridinium dibromide (90179-58-1)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃; for 72h;

Reference yield: 64.0%

4,4'-bipyridine (553-26-4) + 1-Bromooctadecane (112-89-0) → 1-Octadecyl-4-(4'-pyridyl)pyridiniumbromid + 1,1’-dioctadecyl-4,4’-bipyridinium dibromide (90179-58-1)

Guidance literature:

In acetonitrile; for 20h; Reflux;

DOI:10.1016/j.bmcl.2012.04.079

Reference yield:

4,4'-bipyridine (553-26-4) + 1-Bromooctadecane (112-89-0) → octadecylviologen (90179-58-1)

Guidance literature:

In N,N-dimethyl-formamide; for 8h; Heating;

DOI:10.1021/j150663a036

upstream raw materials:

4,4'-bipyridine

1-Bromooctadecane

Downstream raw materials:

1,1'-dioctadecyl-4,4'-bipyridindiium-bis{bis(cis-1,2-diphenyl-1,2-ethenedithiolato)niccolate}

Refernces

• 1、 Nuesslein, Franz,Peter, Raimund,Kisch, Horst. "Charge-Transfer Complexes of Metal Dithiolenes, IV. - Viologens as Redoxactive Acceptors - Synthesis and Electrical Conductivity". . p. 1023 - 1030. Retrieved 2007/10/02.