2-Chloro-4-ethylphenol

Base Information

• Chemical Name: 2-Chloro-4-ethylphenol
• CAS No.: 18980-00-2
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 2908199090
• European Community (EC) Number: 242-717-3
• UNII: Q6AJS79TJ9
• Nikkaji Number: J224.820D
• Mol file: 18980-00-2.mol

Synonyms:2-Chloro-4-ethylphenol;18980-00-2;BRN 1862344;4-Chlor-2-aethylphenol [German];PHENOL, 2-CHLORO-4-ETHYL-;2-CHLORO-4-ETHYL-PHENOL;Q6AJS79TJ9;SCHEMBL157976;PHENOL,2-CHLORO-4-ETHYL-;MFCD16997710;AKOS005288299;MB23911;LS-104237;EN300-843567

Chemical Property of 2-Chloro-4-ethylphenol

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 0.0395mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 223.4 °C at 760 mmHg
• Flash Point: 88.9 °C
• PSA: 20.23000
• Density: 1.18 g/cm³
• LogP: 2.60800
• XLogP3: 3
• 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:

99% ^*data from raw suppliers

2-chloro-4-ethylphenol >96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4-ethylphenol

There total 5 articles about 2-Chloro-4-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: 89.0%

4-Ethylphenol (123-07-9) → 2-chloro-4-ethylphenol (18980-00-2)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride; In toluene; at 0 ℃; for 4h; regioselective reaction; Darkness;

DOI:10.1021/acscatal.8b00327

Reference yield:

3-chloro-4-hydroxy-acetophenone (2892-29-7) → 2-chloro-4-ethylphenol (18980-00-2)

Guidance literature:

With hydrogen; In 1,3,5-trimethyl-benzene; at 120 ℃; for 2h; under 37503.8 Torr; Autoclave;

DOI:10.1039/d0cc03695a

Reference yield:

tetrachloromethane (56-23-5) + sulfuryl dichloride (7791-25-5) + 4-Ethylphenol (123-07-9) → 2-chloro-4-ethylphenol (18980-00-2)

Guidance literature:

at 55 - 70 ℃;

DOI:10.1021/ja01333a058

upstream raw materials:

4-Ethylphenol

sulfuryl dichloride

tetrachloromethane

3-chloro-4-hydroxy-acetophenone

Downstream raw materials:

2-Aminomethyl-6-chloro-4-ethyl-phenol; hydrochloride

C₁₆H₁₆ClNO₄

(4-ethyl-2-chloro-phenoxy)-acetic acid

Refernces

• 1、 Xiong, Xiaodong,Yeung, Ying-Yeung. "Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications". . p. 4033 - 4043. Retrieved 2018/05/22.
• 2、 -. "Amide derivatives and nociceptin antagonists". . . Retrieved 2008/06/13.