2-Thioxo-1,3-dimethyl-1H-imidazole

Base Information

• Chemical Name: 2-Thioxo-1,3-dimethyl-1H-imidazole
• CAS No.: 6596-81-2
• Molecular Formula: C5H8N2S
• Molecular Weight: 128.198
• Hs Code.: 2933290090
• Mol file: 6596-81-2.mol

Synonyms:1,3-dimethyl-2-imidazolethione;N,N'-dimethylimidazolidine-2-thione;1,3-Dimethylimidazole-2(3H)-thione;1,3-dimethyl-2(3H)-imidazolethione;1,3-dimethyl-4-imidazoline-2-thione;4-Imidazoline-2-thione,3-dimethyl;1,3-dimethyl-imidazoline-2-thione;1,3-(N,N(1))-dimethylimidazoline-2-thione;

Chemical Property of 2-Thioxo-1,3-dimethyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 2.22mmHg at 25°C
• Melting Point: 178-180 °C(Solv: methanol (67-56-1))
• Boiling Point: 162°C at 760 mmHg
• PKA: -1.36±0.20(Predicted)
• Flash Point: 51.8°C
• PSA: 41.95000
• Density: 1.22g/cm³
• LogP: 1.09310

Purity/Quality:

1,3-DIMETHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Thioxo-1,3-dimethyl-1H-imidazole

There total 8 articles about 2-Thioxo-1,3-dimethyl-1H-imidazole 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-benzylmercapto-1,3-dimethylimidazolium iodide (68675-51-4) → benzyl methyl ether (538-86-3) + 1,3-dimethylimidazole-2-thione (6596-81-2)

Guidance literature:

With sodium hydrogensulfite; In methanol; for 5h; Irradiation;

Reference yield:

9-Thiofluorenone S-oxide (4440-32-8) + 3-methyl-1-methylimidazolium trifluoromethanesulfonate (121091-30-3) → 9-fluorenone (486-25-9,952573-42-1) + tetrabenzo[5.5]fulvalene (746-47-4) + 1,3-dimethylimidazole-2-thione (6596-81-2)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.)hexane, CH₂Cl₂, -78 deg C, 10-20 min; 2.) THF, -78 deg C, 1 h, room temp., 96 h;

DOI:10.1016/S0040-4020(01)86237-2

Reference yield:

thirane (420-12-2) + 3-methyl-1-methylimidazolium trifluoromethanesulfonate (121091-30-3) → ethene (74-85-1) + 1,3-dimethylimidazole-2-thione (6596-81-2)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.)hexane, CH₂Cl₂, -78 deg C, 10-20 min; 2.) CH₂Cl₂, -78 deg C, 1 h, room temp., 18 h;

DOI:10.1016/S0040-4020(01)86237-2

upstream raw materials:

thirane

3-methyl-1-methylimidazolium trifluoromethanesulfonate

9-Thiofluorenone S-oxide

2-benzylmercapto-1,3-dimethylimidazolium iodide

Downstream raw materials:

hydrogensulfate

sulfite^(2-)

1,3-dimethylimidazolium

1,3-dimethyl-4-diphenylphosphino-κP-borane-imidazole-2-thione