3-Ethoxy-4-nitrophenol

Base Information

• Chemical Name: 3-Ethoxy-4-nitrophenol
• CAS No.: 64635-54-7
• Molecular Formula: C8H9NO4
• Molecular Weight: 183.164
• DSSTox Substance ID: DTXSID50541650
• Nikkaji Number: J801.861H
• Wikidata: Q82418050
• Mol file: 64635-54-7.mol

Synonyms:3-ethoxy-4-nitrophenol;64635-54-7;Phenol, 3-ethoxy-4-nitro-;SCHEMBL10542203;DTXSID50541650;AKOS033613266;EN300-174404;Z1492395209

Chemical Property of 3-Ethoxy-4-nitrophenol

Chemical Property:

• Melting Point: 130-131 °C
• Boiling Point: 361.3±27.0 °C(Predicted)
• PSA: 75.28000
• Density: 1.306±0.06 g/cm3(Predicted)
• LogP: 2.22230
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxy-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)O)[N+](=O)[O-]

Technology Process of 3-Ethoxy-4-nitrophenol

There total 18 articles about 3-Ethoxy-4-nitrophenol 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: 98.5%

3-chloro-4-nitrophenol (491-11-2) + sodium ethanolate (141-52-6) → 3-ethoxy-4-nitrophenol (64635-54-7)

Guidance literature:

In ethanol; at 78 ℃;

Reference yield: 74.0%

5-fluoro-2-nitrophenyl ethyl ether (28987-44-2) → 3-ethoxy-4-nitrophenol (64635-54-7)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; at 80 ℃; for 20h;

DOI:10.1021/acsinfecdis.0c00855

Reference yield:

5-fluoro-2-nitrophenol (446-36-6) → 3-ethoxy-4-nitrophenol (64635-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 80 °C / Sealed tube

2: sodium hydroxide / water; dimethyl sulfoxide / 20 h / 80 °C

With potassium carbonate; sodium hydroxide; In water; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1021/acsinfecdis.0c00855

upstream raw materials:

O-ethyl resorcinol

2,4-diethoxybenzene

3-(ethyloxy)-4-nitroaniline

nitric acid

Downstream raw materials:

2-(3-Ethoxy-4-nitro-phenoxy)-5-trifluoromethyl-benzonitrile