2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide

Base Information

• Chemical Name: 2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide
• CAS No.: 56185-70-7
• Molecular Formula: C10H14INS2
• Molecular Weight: 339.2593
• DSSTox Substance ID: DTXSID50971574
• ChEMBL ID: CHEMBL157044
• Mol file: 56185-70-7.mol

Synonyms:2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide;56185-70-7;Pyridinium, 2-(2,2-bis(methylthio)ethenyl)-1-methyl-, iodide;CHEMBL157044;C10H14NS2.I;DTXSID50971574;2-[2,2-bis(methylsulfanyl)ethenyl]-1-methylpyridin-1-ium iodide;C10-H14-N-S2.I;LS-132264

Chemical Property of 2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 338.96124
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=CC=C1C=C(SC)SC.[I-]

Technology Process of 2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide

There total 3 articles about 2-(2,2-Bis(methylthio)ethenyl)-1-methylpyridinium iodide 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:

N-methyl-2-methylpyridinium iodide (872-73-1) → 1-methyl-2-(2,2-bis(methylthio)vinyl)pyridinium iodide (56185-70-7)

Guidance literature:

Multi-step reaction with 2 steps

1: t-BuOK / 1.) toluene, EtOH, 30 min. 2.) toluene, EtOH, 10 min

2: CH₂Cl₂

With potassium tert-butylate; In dichloromethane;

DOI:10.1021/jm00384a010

Reference yield:

1-methyl-2-(dithiocarboxymethylene)-1,2-dihydropyridine (21695-44-3) + methyl iodide (74-88-4) → 1-methyl-2-(2,2-bis(methylthio)vinyl)pyridinium iodide (56185-70-7)

Guidance literature:

In dichloromethane;

DOI:10.1021/jm00384a010

Reference yield:

α-picoline (109-06-8) + carbon disulfide (75-15-0,12122-00-8) + methyl iodide (74-88-4) → 1-methyl-2-(2,2-bis(methylthio)vinyl)pyridinium iodide (56185-70-7)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction;

DOI:10.1021/jm00384a010

upstream raw materials:

α-picoline

carbon disulfide

methyl iodide

1-methyl-2-(dithiocarboxymethylene)-1,2-dihydropyridine

Downstream raw materials:

1-Methyl-2-((E)-2-methylsulfanyl-2-morpholin-4-yl-vinyl)-pyridinium; iodide

1-Methyl-2-[(Z)-2-methylsulfanyl-2-(4-phenyl-piperidin-1-yl)-vinyl]-pyridinium; iodide