5-Methyl-6-nitro-1,3-dihydro-benzimidazol-2-one

Base Information

• Chemical Name: 5-Methyl-6-nitro-1,3-dihydro-benzimidazol-2-one
• CAS No.: 83573-62-0
• Molecular Formula: C8H7 N3 O3
• Molecular Weight: 193.162
• Hs Code.: 2933990090
• European Community (EC) Number: 695-911-9
• Mol file: 83573-62-0.mol

Synonyms:83573-62-0;5-methyl-6-nitro-1,3-dihydro-benzimidazol-2-one;5-Methyl-6-nitro-1,3-dihydro-benzoimidazol-2-one;5-Methyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one;5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one;5-Methyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one;1,3-Dihydro-5-methyl-6-nitro2H-benzimidazol-2-one;SCHEMBL1827794;SCHEMBL2716661;2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-6-nitro-;AKOS001798825;AS-70080;6-Methyl-5-nitro-1H-benzo[d]imidazol-2-ol;CS-0315566;2h-benzimidazol-2-one,1,3-dihydro-5-methyl-6-nitro-

Chemical Property of 5-Methyl-6-nitro-1,3-dihydro-benzimidazol-2-one

Chemical Property:

• Boiling Point: 215.3±29.0 °C(Predicted)
• PKA: 10.76±0.30(Predicted)
• PSA: 94.47000
• Density: 1.428±0.06 g/cm3(Predicted)
• LogP: 1.59600
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.04874109
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

99%, ^*data from raw suppliers

5-Methyl-6-nitro-1,3-dihydro-benzoimidazol-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N2

Technology Process of 5-Methyl-6-nitro-1,3-dihydro-benzimidazol-2-one

There total 2 articles about 5-Methyl-6-nitro-1,3-dihydro-benzimidazol-2-one 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:

5-methyl-6-nitro-1,3-dihydro-benzimidazole-2-thione (115049-74-6) → 5-methyl-6-nitro-1,3-dihydro-benzimidazol-2-one (83573-62-0)

Guidance literature:

With sodium hydroxide; potassium permanganate; Erhitzen des Reaktionsprodukts mit wss. HCl bei 120grad;

Reference yield:

5-amino-2,4-dinitrotoluene (5267-27-6) → 5-methyl-6-nitro-1,3-dihydro-benzimidazol-2-one (83573-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq.-ethanolic NH₃; pyridine; H₂S / Erwaermen des Reaktionsprodukts mit CS₂ und KOH in Aethanol

2: KMnO₄; aqueous NaOH / Erhitzen des Reaktionsprodukts mit wss. HCl bei 120grad

With pyridine; sodium hydroxide; potassium permanganate; hydrogen sulfide; ammonia;

Reference yield:

5-methyl-6-nitro-1,3-dihydro-benzimidazol-2-one (83573-62-0) → 5-amino-6-methyl-1,3-dihydro-2H-benzimidazol-2-one (67014-36-2)

Guidance literature:

With hydrogenchloride; tin; water;

upstream raw materials:

5-methyl-6-nitro-1,3-dihydro-benzimidazole-2-thione

5-amino-2,4-dinitrotoluene

Downstream raw materials:

5-amino-6-methyl-1,3-dihydro-2H-benzimidazol-2-one