4-Chloro-2-ethylphenol

Base Information

• Chemical Name: 4-Chloro-2-ethylphenol
• CAS No.: 18979-90-3
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• DSSTox Substance ID: DTXSID50172408
• Nikkaji Number: J801.763H
• Wikidata: Q83042503
• Mol file: 18979-90-3.mol

Synonyms:4-Chloro-2-ethylphenol;18979-90-3;Phenol, 4-chloro-2-ethyl-;SCHEMBL364080;2-ETHYL-4-CHLOROPHENOL;DTXSID50172408;MB00701

Chemical Property of 4-Chloro-2-ethylphenol

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)Cl)O

Technology Process of 4-Chloro-2-ethylphenol

There total 11 articles about 4-Chloro-2-ethylphenol 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: 97.4%

5-chloro-2-hydroxyacetophenone (1450-74-4) → 4-chloro-2-ethylphenol (18979-90-3)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane;

Reference yield: 87.0%

ethyl iodide (75-03-6) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chloro-2-ethylphenol (18979-90-3) + 1-chloro-4-ethoxybenzene (622-61-7)

Guidance literature:

With 1-butyl-3-methylimidazolium hydroxide; at 70 ℃; for 2h;

DOI:10.1007/s00706-006-0562-5

Reference yield: 65.0%

ethylmagnesium bromide (925-90-6) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 4-chloro-2-ethylphenol (18979-90-3) + 2,4-diethylphenol (936-89-0)

Guidance literature:

With Ni(1,2-bis(diphenylphosphanyl)-benzene)Cl₂; In toluene; at 0 - 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol802824b

upstream raw materials:

5-chloro-2-hydroxyacetophenone

ethanol

4-chloro-phenol

o-Hydroxyethylbenzene

Downstream raw materials:

acetic acid-(2-ethyl-4-chloro-phenyl ester)

4-Chlor-2-aethyl-6-(4-fluor-3-aethyl)-benzylphenol

4-Chlor-2-aethyl-6-cyclopentylphenol

4-Chlor-2-aethyl-6-cyclohexylphenol