Phenol, 4-chloro-2-ethyl-, acetate

Base Information

• Chemical Name: Phenol, 4-chloro-2-ethyl-, acetate
• CAS No.: 53347-16-3
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.649
• DSSTox Substance ID: DTXSID90201504
• Mol file: 53347-16-3.mol

Synonyms:Phenol, 4-chloro-2-ethyl-, acetate;BRN 1871556;4-Chloro-2-ethylphenol acetate;Essigsaeure-(4-chlor-2-aethylphenylester) [German];53347-16-3;Essigsaeure-(4-chlor-2-aethylphenylester);2-06-00-00443 (Beilstein Handbook Reference);SCHEMBL10364743;DTXSID90201504;LS-104238

Chemical Property of Phenol, 4-chloro-2-ethyl-, acetate

Chemical Property:

• Vapor Pressure: 0.00665mmHg at 25°C
• Boiling Point: 270.9°Cat760mmHg
• Flash Point: 127.4°C
• Density: 1.156g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenol, 4-chloro-2-ethyl-, acetate

There total 4 articles about Phenol, 4-chloro-2-ethyl-, acetate 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: 70.0%

4-chloro-2-ethylphenol (18979-90-3) + acetic anhydride (108-24-7) → acetic acid-(2-ethyl-4-chloro-phenyl ester) (53347-16-3)

Guidance literature:

With sodium acetate; for 2h; Heating;

Reference yield:

5-chloro-2-hydroxyacetophenone (1450-74-4) → acetic acid-(2-ethyl-4-chloro-phenyl ester) (53347-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / Zn, HCl / ethanol / 54 h / Heating

2: 70 percent / sodium acetate / 2 h / Heating

With hydrogenchloride; sodium acetate; zinc; In ethanol;

Reference yield:

4-chlorophenyl acetate (876-27-7) → acetic acid-(2-ethyl-4-chloro-phenyl ester) (53347-16-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminium chloride / 120 °C

2: amalgamated zinc; hydrochloric acid

With hydrogenchloride; aluminium trichloride; amalgamated zinc;

upstream raw materials:

4-chloro-2-ethylphenol

acetyl chloride

acetic anhydride

5-chloro-2-hydroxyacetophenone

Downstream raw materials:

2,6-diethyl-4-chloro-phenol

Nicotinic acid 2-acetyl-4-chloro-6-ethyl-phenyl ester

1-(5-Chloro-3-ethyl-2-hydroxy-phenyl)-3-pyridin-3-yl-propane-1,3-dione

(E)-1-(5-Chloro-3-ethyl-2-hydroxy-phenyl)-3-pyridin-3-yl-propenone