6-Methoxy-4-nitro-1H-benzimidazole

Base Information

• Chemical Name: 6-Methoxy-4-nitro-1H-benzimidazole
• CAS No.: 64457-68-7
• Molecular Formula: C₈H₇N₃O₃
• Molecular Weight: 193.162
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90214710
• Wikidata: Q83090607
• Mol file: 64457-68-7.mol

Synonyms:6-Methoxy-4-nitro-1H-benzimidazole;64457-68-7;1H-Benzimidazole, 6-methoxy-4-nitro-;DTXSID90214710

Chemical Property of 6-Methoxy-4-nitro-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 5.28E-10mmHg at 25°C
• Boiling Point: 509.7°C at 760 mmHg
• Flash Point: 262.1°C
• PSA: 83.73000
• Density: 1.475g/cm³
• LogP: 2.00290
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.04874109
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

6-Methoxy-4-nitro-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)[N+](=O)[O-])N=CN2

Technology Process of 6-Methoxy-4-nitro-1H-benzimidazole

There total 2 articles about 6-Methoxy-4-nitro-1H-benzimidazole 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:

4-amino-1-methoxy-3,5-dinitrobenzene (5350-56-1) → 6-methoxy-4-nitro-1(3)H-benzoimidazole (64457-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen sulfide; aq.-ethanolic ammonia

2: aqueous HCl

With hydrogenchloride; ammonium hydroxide; hydrogen sulfide;

DOI:10.1039/jr9460000092

Reference yield:

formic acid (64-18-6) + 5-methoxy-3-nitrobenzene-1,2-diamine (76179-57-2) → 6-methoxy-4-nitro-1(3)H-benzoimidazole (64457-68-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9460000092

Reference yield:

6-methoxy-4-nitro-1(3)H-benzoimidazole (64457-68-7) → 6-methoxy-1(3)H-benzimidazol-4-ylamine (101257-95-8)

Guidance literature:

With methanol; nickel; Hydrogenation;

DOI:10.1039/jr9460000092

upstream raw materials:

formic acid

5-methoxy-3-nitrobenzene-1,2-diamine

4-amino-1-methoxy-3,5-dinitrobenzene

Downstream raw materials:

7-nitro-1(3)H-benzimidazol-5-ol

6-methoxy-1(3)H-benzimidazol-4-ylamine

N-(6-methoxy-1⁽³⁾H-benzimidazol-4-yl)-toluene-4-sulfonamide

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