1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide

Base Information

• Chemical Name: 1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide
• CAS No.: 74203-47-7
• Molecular Formula: Br*C₁₅H₁₇N₂OS
• Molecular Weight: 353.283
• DSSTox Substance ID: DTXSID50995674
• Mol file: 74203-47-7.mol

Synonyms:1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide;74203-47-7;Pyridinium, 1-benzyl-3-dimethylcarbamoylthio-, bromide;Pyridinium, 1-benzyl-3-mercapto-, bromide, dimethylthiocarbamate (ester);DTXSID50995674;LS-132234;1-BENZYL-3-[(DIMETHYLCARBAMOYL)SULFANYL]PYRIDIN-1-IUM BROMIDE

Chemical Property of 1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide

Chemical Property:

• PSA: 48.85000
• LogP: 0.25650
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 352.02450
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)SC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

Technology Process of 1-Benzyl-3-dimethylcarbamoylthiopyridinium bromide

There total 3 articles about 1-Benzyl-3-dimethylcarbamoylthiopyridinium 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:

pyridine-3-thiol (16133-26-9) → 1-benzyl-3-dimethylcarbamoylsulfanyl-pyridinium; bromide (74203-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; benzene

2: benzene

With triethylamine; benzene;

DOI:10.1021/ja01147a099

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) → 1-benzyl-3-dimethylcarbamoylsulfanyl-pyridinium; bromide (74203-47-7)

Guidance literature:

Multi-step reaction with 3 steps

1: copper-powder; propane-1,2-diol; potassium hydrogensulfide / 175 °C

2: triethylamine; benzene

3: benzene

With propylene glycol; copper; potassium hydrosulfide; triethylamine; benzene;

DOI:10.1021/ja01147a099

Reference yield:

benzyl bromide (100-39-0) + 3-(dimethylaminocarbonylthio)pyridine (13511-89-2) → 1-benzyl-3-dimethylcarbamoylsulfanyl-pyridinium; bromide (74203-47-7)

Guidance literature:

With benzene;

DOI:10.1021/ja01147a099

upstream raw materials:

benzyl bromide

3-(dimethylaminocarbonylthio)pyridine

pyridine-3-thiol

3-Bromopyridine