5-Methyl-2-[(2-nitrophenyl)sulfanyl]-1H-imidazole

Base Information

• Chemical Name: 5-Methyl-2-[(2-nitrophenyl)sulfanyl]-1H-imidazole
• CAS No.: 88251-68-7
• Molecular Formula: C10H9N3O2S
• Molecular Weight: 235.266
• DSSTox Substance ID: DTXSID50528380
• Wikidata: Q82397971
• Mol file: 88251-68-7.mol

Synonyms:88251-68-7;5-Methyl-2-[(2-nitrophenyl)sulfanyl]-1H-imidazole;DTXSID50528380

Chemical Property of 5-Methyl-2-[(2-nitrophenyl)sulfanyl]-1H-imidazole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.04154771
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N1)SC2=CC=CC=C2[N+](=O)[O-]

Technology Process of 5-Methyl-2-[(2-nitrophenyl)sulfanyl]-1H-imidazole

There total 1 articles about 5-Methyl-2-[(2-nitrophenyl)sulfanyl]-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: 81.0%

2-mercapto-4-methylimidazole (3247-70-9) + 2-Chloronitrobenzene (88-73-3) → 4-methyl-2-(2-nitrophenylthio)imidazole (88251-68-7)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

DOI:10.1002/jhet.5570200528

Reference yield: 89.0%

4-methyl-2-(2-nitrophenylthio)imidazole (88251-68-7) → 4-methyl-2-(2-aminophenylthio)imidazole (88251-73-4)

Guidance literature:

With hydrogenchloride; iron; In ethanol; for 2h; Heating;

DOI:10.1002/jhet.5570200528

Reference yield:

4-methyl-2-(2-nitrophenylthio)imidazole (88251-68-7) → 1-<2-(4-methyl-2-imidazolyl)thiophenyliminocarbonyl>-4-methylpiperazine (81382-64-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 89 percent / iron powder, hydrochloric acid / aq. ethanol / 2 h / Heating

2: CH₂Cl₂ / 3 h / Ambient temperature

3: 88 percent / CH₂Cl₂ / Ambient temperature; overnight

With hydrogenchloride; iron; In ethanol; dichloromethane;

DOI:10.1002/jhet.5570200528

upstream raw materials:

2-mercapto-4-methylimidazole

2-Chloronitrobenzene

Downstream raw materials:

4-methyl-2-(2-aminophenylthio)imidazole

1-<2-(4-methyl-2-imidazolyl)thiophenyliminocarbonyl>-4-methylpiperazine

Refernces