1-(2-methoxyphenyl)-1H-imidazole-2-thiol

Base Information

• Chemical Name: 1-(2-methoxyphenyl)-1H-imidazole-2-thiol
• CAS No.: 51581-48-7
• Molecular Formula: C₁₀H₁₀N₂OS
• Molecular Weight: 206.268
• DSSTox Substance ID: DTXSID501213279
• Mol file: 51581-48-7.mol

Synonyms:1-(2-methoxyphenyl)-1H-imidazole-2-thiol;51581-48-7;2H-Imidazole-2-thione, 1,3-dihydro-1-(2-methoxyphenyl)-;3-(2-methoxyphenyl)-1H-imidazole-2-thione;DTXSID501213279;AKOS009271065;LS-12695;EN300-238805;1,3-dihydro-1-(2-methoxyphenyl)-2H-Imidazole-2-thione;F2147-0391

Chemical Property of 1-(2-methoxyphenyl)-1H-imidazole-2-thiol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.05138412
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2C=CNC2=S

Technology Process of 1-(2-methoxyphenyl)-1H-imidazole-2-thiol

There total 6 articles about 1-(2-methoxyphenyl)-1H-imidazole-2-thiol 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:

potassium thioacyanate (333-20-0) + N-(2,2-diethoxyethyl)-2-methoxyaniline → 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione (51581-48-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; Reflux;

DOI:10.1016/j.saa.2015.02.043

Reference yield:

2-methoxy-phenylamine (90-04-0) → 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione (51581-48-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 168 h

2: hydrogenchloride / ethanol; water / Reflux

With hydrogenchloride; In ethanol; water;

DOI:10.1016/j.saa.2015.02.043

Reference yield:

1-(2,2-Diethoxy-ethyl)-3-(2-methoxy-phenyl)-thiourea → 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione (51581-48-7)

Guidance literature:

With hydrogenchloride; In toluene; for 2h; Yield given; Heating;

DOI:10.1080/00397919708007078

upstream raw materials:

isothiocyanic acid

1-isothiocyanato-2-methoxybenzene

potassium thioacyanate

2-methoxy-phenylamine

Downstream raw materials:

pyrographite