4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole

Base Information

• Chemical Name: 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole
• CAS No.: 115889-90-2
• Molecular Formula: C11H11FN2S
• Molecular Weight: 222.286
• ChEMBL ID: CHEMBL182009
• DSSTox Substance ID: DTXSID20557203
• Nikkaji Number: J3.050.823H
• Wikidata: Q82439036
• Mol file: 115889-90-2.mol

Synonyms:115889-90-2;4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole;CHEMBL182009;DTXSID20557203

Chemical Property of 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.06269769
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1SC)C2=CC=C(C=C2)F

Technology Process of 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole

There total 4 articles about 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-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: 100.0%

4-(4-fluorophenyl)-1-methyl-1,3-dihydro-2H-imidazole-2-thione (1015445-75-6) + methyl iodide (74-88-4) → 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole (115889-90-2)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 36h;

DOI:10.1055/s-2007-1000852

Reference yield:

2-amino-4'-fluoroacetophenone hydrochloride (456-00-8) → 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole (115889-90-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / 10percent aq. HCl / 2 h / Heating

2: 2 N NaOH / 65 h

With hydrogenchloride; sodium hydroxide;

DOI:10.1021/jo00253a012

Reference yield:

4-(4-fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione (93103-15-2) + dimethyl sulfate (77-78-1) → 4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole (115889-90-2)

Guidance literature:

With sodium hydroxide; for 65h;

DOI:10.1021/jo00253a012

upstream raw materials:

4-(4-fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione

dimethyl sulfate

2-amino-4'-fluoroacetophenone hydrochloride

methyl thiocyanate

Downstream raw materials:

1-methyl-2-(methylthio)-4-(4-fluorophenyl)-5-(1-carbethoxy-1,4-dihydro-4-pyridyl)imidazole

5-bromo-4-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-1H-imidazole

4-[4-(4-fluorophenyl)-1-methyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine

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