Benzpyrinium bromide

Base Information

• Chemical Name: Benzpyrinium bromide
• CAS No.: 587-46-2
• Molecular Formula: C15H17 N2 O2 . Br
• Molecular Weight: 337.21
• Hs Code.: 2933399090
• UNII: X0L78YB79M
• DSSTox Substance ID: DTXSID70974224
• Wikidata: Q27293204
• NCI Thesaurus Code: C76611
• ChEMBL ID: CHEMBL2106108
• Mol file: 587-46-2.mol

Synonyms:BENZPYRINIUM BROMIDE;587-46-2;1-Benzyl-3-((dimethylcarbamoyl)oxy)pyridin-1-ium bromide;Benzostigmine;Benzpyrinium bromide [INN];Benzpyrinii bromidum;Bromure de benzpyrinium;Bromuro de benzopirinio;Benzpyrinii bromidum [INN-Latin];1-Benzyl-3-dimethylcarbamoyloxypyridinium bromide;Bromure de benzpyrinium [INN-French];Bromuro de benzopirinio [INN-Spanish];UNII-X0L78YB79M;1-Benzyl-3-hydroxypyridinium bromide dimethylcarbamate;Pyridinium, 1-benzyl-3-dimethylcarbamoyloxy-, bromide;X0L78YB79M;Benzpyrinium bromide [INN:NF];(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate;bromide;Pyridinium, 1-benzyl-3-hydroxy-, bromide, dimethylcarbamate;Pyridinium, 3-((dimethylaminocarbonyl)oxy)-1-(phenylmethyl)-, bromide;1-benzyl-3-[(dimethylcarbamoyl)oxy]pyridin-1-ium bromide;C15H17BrN2O2;BENZPYRINIUMBROMIDE;C15H17N2O2.HBr;SCHEMBL679368;CHEMBL2106108;BENZPYRINIUM BROMIDE [MI];DTXSID70974224;AMY10009;AKOS015899428;LS-132231;FT-0767272;D84275;1-benzyl-3-(dimethylcarbamoyloxy)pyridinium bromide;Q27293204

Chemical Property of Benzpyrinium bromide

Chemical Property:

• Melting Point: 114-115°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 33.42000
• Density: g/cm³
• LogP: -0.91320
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 336.04734
• Heavy Atom Count: 20
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-3-((dimethylcarbamoyl)oxy)pyridin-1-iumbromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]
• Therapeutic Function: Cholinergic

Technology Process of Benzpyrinium bromide

There total 2 articles about Benzpyrinium 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:

3-(N,N-Dimethylcarbamoyl)-oxipyridin (51581-32-9) + benzyl bromide (100-39-0) → 1-benzyl-3-dimethylcarbamoyloxy-pyridinium; bromide (587-46-2)

Guidance literature:

With benzene; Beim Erwaermen auf Siedetemperatur;

Reference yield:

3-HYDROXYPYRIDINE (109-00-2) → 1-benzyl-3-dimethylcarbamoyloxy-pyridinium; bromide (587-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; benzene

2: toluene / 80 °C

With triethylamine; toluene; benzene;

DOI:10.1021/ja01147a099

upstream raw materials:

3-(N,N-Dimethylcarbamoyl)-oxipyridin

benzyl bromide

3-HYDROXYPYRIDINE