1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide

Base Information

• Chemical Name: 1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide
• CAS No.: 436853-30-4
• Molecular Formula: C24H24B2N2O4.2Br
• Molecular Weight: 585.88800
• Hs Code.: 2933399990
• European Community (EC) Number: 805-534-5
• DSSTox Substance ID: DTXSID80435836
• Mol file: 436853-30-4.mol

Synonyms:436853-30-4;1,1'-bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide;4,4'-Bipyridinium, 1,1'-bis[(4-boronophenyl)methyl]-, dibromide;[4-[[4-[1-[(4-boronophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;dibromide;DTXSID80435836;AKOS025392318;AS-2554;E84729;1,1'-bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diiumbromide;1,1'-Bis[(4-boronophenyl)methyl]-4,4'-bipyridin-1-ium dibromide;1,1'-bis({[4-(dihydroxyboranyl)phenyl]methyl})-[4,4'-bipyridine]-1,1'-diium dibromide

Chemical Property of 1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide

Chemical Property:

• PSA: 88.68000
• LogP: -6.60720
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 586.02684
• Heavy Atom Count: 34
• Complexity: 490

Purity/Quality:

97% ^*data from raw suppliers

1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diiumbromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)B(O)O)(O)O.[Br-].[Br-]

Technology Process of 1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide

There total 2 articles about 1,1'-Bis(4-boronobenzyl)-[4,4'-bipyridine]-1,1'-diium bromide 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: 74.0%

4,4'-bipyridine (553-26-4) + 2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (143805-78-1) → N,N'-4,4'-bis(benzyl-4''-boronic acid)bipyridinium dibromide (436853-30-4)

Guidance literature:

In acetonitrile; for 4h; Reflux;

DOI:10.1016/j.ica.2011.06.030

Reference yield: 72.6%

4,4'-bipyridine (553-26-4) + 4-bromomethylphenylboronic acid (68162-47-0) → N,N'-4,4'-bis(benzyl-4''-boronic acid)bipyridinium dibromide (436853-30-4)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.saa.2013.05.089

upstream raw materials:

4,4'-bipyridine

4-bromomethylphenylboronic acid

2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane