3-Ethyl-4-nitrophenol

Base Information

• Chemical Name: 3-Ethyl-4-nitrophenol
• CAS No.: 14143-34-1
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• DSSTox Substance ID: DTXSID90549271
• Wikidata: Q82428265
• Mol file: 14143-34-1.mol

Synonyms:3-ethyl-4-nitrophenol;14143-34-1;SCHEMBL4953327;DTXSID90549271;A1-32596

Chemical Property of 3-Ethyl-4-nitrophenol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)O)[N+](=O)[O-]

Technology Process of 3-Ethyl-4-nitrophenol

There total 4 articles about 3-Ethyl-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: 84.0%

3-ethylphenol (620-17-7) → 3-ethyl-4-nitrophenol (14143-34-1)

Guidance literature:

3-ethylphenol; With hydrogenchloride; In ethanol; for 0.5h; Cooling with ice;

With sodium nitrite; In ethanol; for 0.5h;

Reference yield:

3-ethylphenol (620-17-7) → 2-ethyl-1,4-benzoquinone (4754-26-1) + 3-ethyl-4-nitrophenol (14143-34-1) + 5-ethyl-2-nitrophenol (101664-28-2) + 2-ethyl-6-hydroxy-1-nitrobenzene (118161-26-5)

Guidance literature:

With sodium nitrate; sulfuric acid; sodium nitrite; In diethyl ether; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)87910-1

Reference yield:

C16H17NO2S2 (112825-85-1) → 3-ethyl-4-nitrophenol (14143-34-1)

Guidance literature:

Multi-step reaction with 3 steps

1: mercury(II)trifluoroacetate, lithium carbonate / acetonitrile / 25 °C

2: MCPBA / CH₂Cl₂ / 25 °C

3: 52 percent / benzene / 24 h / 65 °C

With mercury(II) trifluoroacetate; lithium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetonitrile; benzene;

DOI:10.1039/c39870000753

upstream raw materials:

3-ethylphenol

C₁₆H₁₇NO₂S₂

{1-[1-Nitro-meth-(Z)-ylidene]-propylsulfanyl}-benzene

Downstream raw materials:

[3-(3-Ethyl-4-nitro-phenoxy)-propyl]-dimethyl-amine

4-(3-Dimethylamino-propoxy)-2-ethyl-phenylamine

3-ethyl-4-aminophenol