1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium dibromide

Base Information

• Chemical Name: 1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium dibromide
• CAS No.: 40032-49-3
• Molecular Formula: 2Br*C₁₁H₁₂N₂
• Molecular Weight: 332.038
• ChEMBL ID: CHEMBL1076732
• DSSTox Substance ID: DTXSID60543605
• Mol file: 40032-49-3.mol

Synonyms:40032-49-3;1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium dibromide;Pyridinium, 1,1'-methylenebis-, dibromide;CHEMBL1076732;DTXSID60543605;methylene-bis-pyridinium dibromide;1,1-bis(pyridinium)-methane dibromide;1,1'-Methylenedi(pyridin-1-ium) dibromide;1-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium;dibromide

Chemical Property of 1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium dibromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 331.93467
• Heavy Atom Count: 15
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)C[N+]2=CC=CC=C2.[Br-].[Br-]

Technology Process of 1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium dibromide

There total 2 articles about 1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium 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:

2,4,6-Trinitrotoluene (118-96-7) + α,α,α-tribromoacetophenone (7402-45-1) → 1-(2,4,6-trinitro-benzyl)-pyridinium; bromide + N,N'-methylenedipyridinium bromide (40032-49-3)

Guidance literature:

With dibenzoyl peroxide; at 140 ℃; Erwaermen des Reaktionsgemisches mit Pyridin und Aceton;

Reference yield:

2-chloro-4-nitrotoluene (121-86-8) + α,α,α-tribromoacetophenone (7402-45-1) → 1-(2-chloro-4-nitro-benzyl)-pyridinium; bromide + N,N'-methylenedipyridinium bromide (40032-49-3)

Guidance literature:

at 160 ℃; Erwaermen des Reaktionsgemisches mit Pyridin und Aceton;

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + N,N'-methylenedipyridinium bromide (40032-49-3) + p-dimethylaminonitrosobenzene (138-89-6) → (4-dimethylamino-phenylimino)-malononitrile (91091-11-1)

Guidance literature:

With ethanol;

upstream raw materials:

2-chloro-4-nitrotoluene

α,α,α-tribromoacetophenone

2,4,6-Trinitrotoluene

Downstream raw materials:

(4-dimethylamino-phenylimino)-malononitrile