4-Nitro-2-phenoxyphenol

Base Information

• Chemical Name: 4-Nitro-2-phenoxyphenol
• CAS No.: 70995-08-3
• Molecular Formula: C₁₂H₉NO₄
• Molecular Weight: 231.208
• European Community (EC) Number: 642-009-8
• UNII: LT97V976KV
• Nikkaji Number: J801.863D
• Mol file: 70995-08-3.mol

Synonyms:4-Nitro-2-phenoxyphenol;70995-08-3;Nimesulide Impurity G;2-Phenoxy-4-nitrophenol;Phenol, 4-nitro-2-phenoxy-;LT97V976KV;UNII-LT97V976KV;4-?Nitro-?2-?phenoxyphenol;SCHEMBL11470258;Nimesulide Imp. G (EP)

Chemical Property of 4-Nitro-2-phenoxyphenol

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.05315777
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])O

Technology Process of 4-Nitro-2-phenoxyphenol

There total 10 articles about 4-Nitro-2-phenoxyphenol 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:

2-bromo-5-nitrophenol (52427-05-1) → Phenyl-(5-nitro-2-hydroxy-phenyl)-aether (70995-08-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 87 percent / ethanol; diethyl ether

2: 41 percent / dimethylformamide / reflux, 10 h; room temperature, overnight

3: 42 percent / aq. hydrobromic acid / acetic acid / 24 h / 110 °C

4: 1.) KOH / 1.) ethanol, 2.) DMF, 150 deg C, 24 h

With potassium hydroxide; hydrogen bromide; In diethyl ether; ethanol; acetic acid; N,N-dimethyl-formamide;

DOI:10.1039/P19810002456

Reference yield:

1-bromo-2-methoxy-4-nitrobenzene (77337-82-7) → Phenyl-(5-nitro-2-hydroxy-phenyl)-aether (70995-08-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 41 percent / dimethylformamide / reflux, 10 h; room temperature, overnight

2: 42 percent / aq. hydrobromic acid / acetic acid / 24 h / 110 °C

3: 1.) KOH / 1.) ethanol, 2.) DMF, 150 deg C, 24 h

With potassium hydroxide; hydrogen bromide; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1039/P19810002456

Reference yield:

2-methoxy-4-nitro-1-phenoxy-benzene (51230-16-1) → Phenyl-(5-nitro-2-hydroxy-phenyl)-aether (70995-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / aq. hydrobromic acid / acetic acid / 24 h / 110 °C

2: 1.) KOH / 1.) ethanol, 2.) DMF, 150 deg C, 24 h

With potassium hydroxide; hydrogen bromide; In acetic acid;

DOI:10.1039/P19810002456

upstream raw materials:

1-methoxy-2-phenoxy-4-nitrobenzene

5-nitro-2-phenoxyphenol

3-phenoxy-2-propanone

nitromalondialdehyde sodium salt

Downstream raw materials:

4-methoxy-3-phenoxy-aniline

2-methoxyphenyl phenyl ether

2-(4-Nitro-2-phenoxy-phenoxy)-propionic acid methyl ester

1-methoxy-2-phenoxy-4-nitrobenzene